4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol

C25H46O2 — CID 145126391

IUPAC4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol
SMILESOC1CCC(C2CCCCC2)CC1.OCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C13H24O.C12H22O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h11-14H,1-10H2;10-13H,1-9H2
InChIKeyJPIGSIONQGAYME-UHFFFAOYSA-N
MW378.64 g/mol
LogP6.48
Rot. Bonds3

About 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol

4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol (PubChem CID 145126391) has the molecular formula C25H46O2 and a molecular weight of 378.64 g/mol. Its IUPAC name is 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol.

Molecular Properties

Compound Name4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol
PubChem CID145126391
Molecular FormulaC25H46O2
Molecular Weight378.64 g/mol
Exact Mass378.35
IUPAC Name4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol
SMILESOC1CCC(C2CCCCC2)CC1.OCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C13H24O.C12H22O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h11-14H,1-10H2;10-13H,1-9H2
InChIKeyJPIGSIONQGAYME-UHFFFAOYSA-N
XLogP6.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol
CID 143426222
4-cyclobutylcyclohexan-1-ol
CID 116963310
cyclotetradecylmethanol
CID 23468347
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
3-cyclohexylcyclopentan-1-ol
CID 64515309
[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol
CID 130624155
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
[4-(4-iodocyclohexyl)cyclohexyl]methanol
CID 126583903
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 7188325
(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 640668
trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
CID 45098984

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol?
The IUPAC name of 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol (CID 145126391) is 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol.
What is the SMILES notation for 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol?
The canonical SMILES for 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol is OC1CCC(C2CCCCC2)CC1.OCC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol?
The InChIKey is JPIGSIONQGAYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C12H22O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h11-14H,1-10H2;10-13H,1-9H2.
What are the key properties of 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol?
4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol has a molecular weight of 378.64 g/mol, XLogP of 6.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol is sourced from PubChem (CID 145126391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).