2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol

C26H50O2 — CID 166948804

IUPAC2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol
SMILESCC(C)C1(C)CC(OCCC(C)C2(C)C(C)CC(O)C2(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C26H50O2/c1-17(2)25(11)16-21(23(7,8)24(25,9)10)28-14-13-18(3)26(12)19(4)15-20(27)22(26,5)6/h17-21,27H,13-16H2,1-12H3
InChIKeyWFTRIAXDJDPJSX-UHFFFAOYSA-N
MW394.68 g/mol
LogP6.95
Rot. Bonds6

About 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol

2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol (PubChem CID 166948804) has the molecular formula C26H50O2 and a molecular weight of 394.68 g/mol. Its IUPAC name is 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol
PubChem CID166948804
Molecular FormulaC26H50O2
Molecular Weight394.68 g/mol
Exact Mass394.38
IUPAC Name2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol
SMILESCC(C)C1(C)CC(OCCC(C)C2(C)C(C)CC(O)C2(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C26H50O2/c1-17(2)25(11)16-21(23(7,8)24(25,9)10)28-14-13-18(3)26(12)19(4)15-20(27)22(26,5)6/h17-21,27H,13-16H2,1-12H3
InChIKeyWFTRIAXDJDPJSX-UHFFFAOYSA-N
XLogP6.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-((1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)oxy)-1-propanol
CID 18955245
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CID 15348637
(3R,4R)-1-[(2S,3aR,4S,5R,6aS)-5-methyl-2-pentyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluorooctan-3-ol
CID 57321713
Bornafix
CID 154926039
2-Propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol
CID 155087090
(1r,3r,5s)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanol
CID 15348634
(1r,3r,5r)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanol
CID 15348635
(1s,3r,5r)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanol
CID 15348636
(1S,3aS,6aS)-3a,6,6-trimethyl-1,2,3,4,5,6a-hexahydropentalen-1-ol
CID 21727063
2-(3,3-Dimethylbutyl)-3,5-dimethylcyclopentan-1-ol
CID 53439747
3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol
CID 73192575
(5S,9S)-9-methylspiro[4.4]nonan-4-ol
CID 76479497

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol?
The IUPAC name of 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol (CID 166948804) is 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol is CC(C)C1(C)CC(OCCC(C)C2(C)C(C)CC(O)C2(C)C)C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol?
The InChIKey is WFTRIAXDJDPJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O2/c1-17(2)25(11)16-21(23(7,8)24(25,9)10)28-14-13-18(3)26(12)19(4)15-20(27)22(26,5)6/h17-21,27H,13-16H2,1-12H3.
What are the key properties of 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol?
2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol has a molecular weight of 394.68 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethyl-3-[4-(2,2,3,3,4-pentamethyl-4-propan-2-ylcyclopentyl)oxybutan-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 166948804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).