(Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol

C22H46O3Si — CID 11101113

IUPAC(Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol
SMILESCCCC[C@@H](O)/C=C\[C@H](O)CCCC(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O3Si/c1-9-10-13-21(23)15-16-22(24)14-11-12-20(8)25-26(17(2)3,18(4)5)19(6)7/h15-24H,9-14H2,1-8H3/b16-15-/t20?,21-,22-/m1/s1
InChIKeyBLURPVMTRDANNW-VEVKINEVSA-N
MW386.69 g/mol
LogP6.21
Rot. Bonds14

About (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol

(Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol (PubChem CID 11101113) has the molecular formula C22H46O3Si and a molecular weight of 386.69 g/mol. Its IUPAC name is (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol.

Molecular Properties

Compound Name(Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol
PubChem CID11101113
Molecular FormulaC22H46O3Si
Molecular Weight386.69 g/mol
Exact Mass386.32
IUPAC Name(Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol
SMILESCCCC[C@@H](O)/C=C\[C@H](O)CCCC(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O3Si/c1-9-10-13-21(23)15-16-22(24)14-11-12-20(8)25-26(17(2)3,18(4)5)19(6)7/h15-24H,9-14H2,1-8H3/b16-15-/t20?,21-,22-/m1/s1
InChIKeyBLURPVMTRDANNW-VEVKINEVSA-N
XLogP6.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
(E)-1-trimethylsilyldec-3-en-1-yn-5-ol
CID 15176337
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
CID 15543738
(3S)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol
CID 17755256
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
7-((tert-Butyldimethylsilyl)oxy)hept-1-en-3-ol
CID 46850137
(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850138
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455

Frequently Asked Questions

What is the IUPAC name of (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol?
The IUPAC name of (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol (CID 11101113) is (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol.
What is the SMILES notation for (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol?
The canonical SMILES for (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol is CCCC[C@@H](O)/C=C\[C@H](O)CCCC(C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol?
The InChIKey is BLURPVMTRDANNW-VEVKINEVSA-N. The full InChI is InChI=1S/C22H46O3Si/c1-9-10-13-21(23)15-16-22(24)14-11-12-20(8)25-26(17(2)3,18(4)5)19(6)7/h15-24H,9-14H2,1-8H3/b16-15-/t20?,21-,22-/m1/s1.
What are the key properties of (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol?
(Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol has a molecular weight of 386.69 g/mol, XLogP of 6.21, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol is sourced from PubChem (CID 11101113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).