CID 58089171

C170H496NO80Si77+ — CID 58089171

IUPAC—
SMILESCCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)C[NH+](C)CCC[Si]OC
InChIInChI=1S/C170H495NO80Si77/c1-156-169(172)167-175-161-158-164-253(4,5)177-255(8,9)179-257(12,13)181-259(16,17)183-261(20,21)185-263(24,25)187-265(28,29)189-267(32,33)191-269(36,37)193-271(40,41)195-273(44,45)197-275(48,49)199-277(52,53)201-279(56,57)203-281(60,61)205-283(64,65)207-285(68,69)209-287(72,73)211-289(76,77)213-291(80,81)215-293(84,85)217-295(88,89)219-297(92,93)221-299(96,97)223-301(100,101)225-303(104,105)227-305(108,109)229-307(112,113)231-309(116,117)233-311(120,121)235-313(124,125)237-315(128,129)239-317(132,133)241-319(136,137)243-321(140,141)245-323(144,145)247-325(148,149)249-327(152,153)251-328(154,155)250-326(150,151)248-324(146,147)246-322(142,143)244-320(138,139)242-318(134,135)240-316(130,131)238-314(126,127)236-312(122,123)234-310(118,119)232-308(114,115)230-306(110,111)228-304(106,107)226-302(102,103)224-300(98,99)222-298(94,95)220-296(90,91)218-294(86,87)216-292(82,83)214-290(78,79)212-288(74,75)210-286(70,71)208-284(66,67)206-282(62,63)204-280(58,59)202-278(54,55)200-276(50,51)198-274(46,47)196-272(42,43)194-270(38,39)192-268(34,35)190-266(30,31)188-264(26,27)186-262(22,23)184-260(18,19)182-258(14,15)180-256(10,11)178-254(6,7)165-159-162-176-168-170(173)166-171(2)160-157-163-252-174-3/h169-170,172-173H,156-168H2,1-155H3/p+1
InChIKeyCVJPKKIFUFWWBL-UHFFFAOYSA-O
MW5998.39 g/mol
LogP55.11
Rot. Bonds170

About CID 58089171

CID 58089171 (PubChem CID 58089171) has the molecular formula C170H496NO80Si77+ and a molecular weight of 5998.39 g/mol.

Molecular Properties

Compound NameCID 58089171
PubChem CID58089171
Molecular FormulaC170H496NO80Si77+
Molecular Weight5998.39 g/mol
Exact Mass5987.70
IUPAC Name—
SMILESCCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)C[NH+](C)CCC[Si]OC
InChIInChI=1S/C170H495NO80Si77/c1-156-169(172)167-175-161-158-164-253(4,5)177-255(8,9)179-257(12,13)181-259(16,17)183-261(20,21)185-263(24,25)187-265(28,29)189-267(32,33)191-269(36,37)193-271(40,41)195-273(44,45)197-275(48,49)199-277(52,53)201-279(56,57)203-281(60,61)205-283(64,65)207-285(68,69)209-287(72,73)211-289(76,77)213-291(80,81)215-293(84,85)217-295(88,89)219-297(92,93)221-299(96,97)223-301(100,101)225-303(104,105)227-305(108,109)229-307(112,113)231-309(116,117)233-311(120,121)235-313(124,125)237-315(128,129)239-317(132,133)241-319(136,137)243-321(140,141)245-323(144,145)247-325(148,149)249-327(152,153)251-328(154,155)250-326(150,151)248-324(146,147)246-322(142,143)244-320(138,139)242-318(134,135)240-316(130,131)238-314(126,127)236-312(122,123)234-310(118,119)232-308(114,115)230-306(110,111)228-304(106,107)226-302(102,103)224-300(98,99)222-298(94,95)220-296(90,91)218-294(86,87)216-292(82,83)214-290(78,79)212-288(74,75)210-286(70,71)208-284(66,67)206-282(62,63)204-280(58,59)202-278(54,55)200-276(50,51)198-274(46,47)196-272(42,43)194-270(38,39)192-268(34,35)190-266(30,31)188-264(26,27)186-262(22,23)184-260(18,19)182-258(14,15)180-256(10,11)178-254(6,7)165-159-162-176-168-170(173)166-171(2)160-157-163-252-174-3/h169-170,172-173H,156-168H2,1-155H3/p+1
InChIKeyCVJPKKIFUFWWBL-UHFFFAOYSA-O
XLogP55.11
TPSA764.84 Ų
H-Bond Donors3
H-Bond Acceptors80
Rotatable Bonds170
Heavy Atoms328
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005998.39
LogP ≤ 555.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1080

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Related Compounds

1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol
CID 59187881
1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol
CID 59187876
3-[3-[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol
CID 157443694
1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol
CID 59798718
dodecanoate;1-[3-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]pentan-2-ol;acetate
CID 123717136
1-[4-[2-hydroxy-3-[3-[[[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]piperazin-1-yl]-3-(3-trimethylsilylpropoxy)propan-2-ol
CID 59944116
CID 58500717
CID 58500717
(2R)-1-butoxybutan-2-ol
CID 27255938
2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethane-1,1-diol
CID 163940247
[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-[[[[[[[[3-(fluoromethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 176847596
1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol
CID 59324240
2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol
CID 167647395

Frequently Asked Questions

What is the IUPAC name of CID 58089171?
The IUPAC name of CID 58089171 (CID 58089171) is not available.
What is the SMILES notation for CID 58089171?
The canonical SMILES for CID 58089171 is CCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)C[NH+](C)CCC[Si]OC.
What is the InChIKey of CID 58089171?
The InChIKey is CVJPKKIFUFWWBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C170H495NO80Si77/c1-156-169(172)167-175-161-158-164-253(4,5)177-255(8,9)179-257(12,13)181-259(16,17)183-261(20,21)185-263(24,25)187-265(28,29)189-267(32,33)191-269(36,37)193-271(40,41)195-273(44,45)197-275(48,49)199-277(52,53)201-279(56,57)203-281(60,61)205-283(64,65)207-285(68,69)209-287(72,73)211-289(76,77)213-291(80,81)215-293(84,85)217-295(88,89)219-297(92,93)221-299(96,97)223-301(100,101)225-303(104,105)227-305(108,109)229-307(112,113)231-309(116,117)233-311(120,121)235-313(124,125)237-315(128,129)239-317(132,133)241-319(136,137)243-321(140,141)245-323(144,145)247-325(148,149)249-327(152,153)251-328(154,155)250-326(150,151)248-324(146,147)246-322(142,143)244-320(138,139)242-318(134,135)240-316(130,131)238-314(126,127)236-312(122,123)234-310(118,119)232-308(114,115)230-306(110,111)228-304(106,107)226-302(102,103)224-300(98,99)222-298(94,95)220-296(90,91)218-294(86,87)216-292(82,83)214-290(78,79)212-288(74,75)210-286(70,71)208-284(66,67)206-282(62,63)204-280(58,59)202-278(54,55)200-276(50,51)198-274(46,47)196-272(42,43)194-270(38,39)192-268(34,35)190-266(30,31)188-264(26,27)186-262(22,23)184-260(18,19)182-258(14,15)180-256(10,11)178-254(6,7)165-159-162-176-168-170(173)166-171(2)160-157-163-252-174-3/h169-170,172-173H,156-168H2,1-155H3/p+1.
What are the key properties of CID 58089171?
CID 58089171 has a molecular weight of 5998.39 g/mol, XLogP of 55.11, 170 rotatable bonds, 3 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58089171 is sourced from PubChem (CID 58089171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).