1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol

C28H38O2 — CID 134884558

IUPAC1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol
SMILESCC1(C)CCCC(C)(C)C1(O)C#CC#CC#CC#CC1(O)C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H38O2/c1-23(2)17-15-18-24(3,4)27(23,29)21-13-11-9-10-12-14-22-28(30)25(5,6)19-16-20-26(28,7)8/h29-30H,15-20H2,1-8H3
InChIKeyKOUPOEXGILKHNY-UHFFFAOYSA-N
MW406.61 g/mol
LogP4.93
Rot. Bonds

About 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol

1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol (PubChem CID 134884558) has the molecular formula C28H38O2 and a molecular weight of 406.61 g/mol. Its IUPAC name is 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol
PubChem CID134884558
Molecular FormulaC28H38O2
Molecular Weight406.61 g/mol
Exact Mass406.29
IUPAC Name1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol
SMILESCC1(C)CCCC(C)(C)C1(O)C#CC#CC#CC#CC1(O)C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H38O2/c1-23(2)17-15-18-24(3,4)27(23,29)21-13-11-9-10-12-14-22-28(30)25(5,6)19-16-20-26(28,7)8/h29-30H,15-20H2,1-8H3
InChIKeyKOUPOEXGILKHNY-UHFFFAOYSA-N
XLogP4.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol with MolForge

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Related Compounds

1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol
CID 19389261
2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile
CID 79862592
ethyl (Z)-3-ethyl-5-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)pent-2-en-4-ynoate
CID 90206733
1-(1-hydroxy-2,2-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79852266
(5R,10R)-4,4,10-trimethylspiro[4.5]decan-10-ol
CID 102083415
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997
1,4-dimethyl-1,4-bis(penta-1,3-diynyl)cyclohexane
CID 21365328
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
CID 104809607
1-(1-hydroxy-2,2-dimethylcyclohexyl)cycloheptane-1-carbonitrile
CID 79852706
1-iodo-1,2,2-trimethylcyclopentane
CID 70443095

Frequently Asked Questions

What is the IUPAC name of 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol?
The IUPAC name of 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol (CID 134884558) is 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol?
The canonical SMILES for 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol is CC1(C)CCCC(C)(C)C1(O)C#CC#CC#CC#CC1(O)C(C)(C)CCCC1(C)C.
What is the InChIKey of 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol?
The InChIKey is KOUPOEXGILKHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O2/c1-23(2)17-15-18-24(3,4)27(23,29)21-13-11-9-10-12-14-22-28(30)25(5,6)19-16-20-26(28,7)8/h29-30H,15-20H2,1-8H3.
What are the key properties of 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol?
1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol has a molecular weight of 406.61 g/mol, XLogP of 4.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 134884558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).