4-cyclohexylcyclohexan-1-ol;toluene;hydrate

C19H32O2 — CID 142076713

IUPAC4-cyclohexylcyclohexan-1-ol;toluene;hydrate
SMILESCc1ccccc1.O.OC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C12H22O.C7H8.H2O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-7-5-3-2-4-6-7;/h10-13H,1-9H2;2-6H,1H3;1H2
InChIKeyMLTOXAYFMJXYQH-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.29
Rot. Bonds1

About 4-cyclohexylcyclohexan-1-ol;toluene;hydrate

4-cyclohexylcyclohexan-1-ol;toluene;hydrate (PubChem CID 142076713) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 4-cyclohexylcyclohexan-1-ol;toluene;hydrate.

Molecular Properties

Compound Name4-cyclohexylcyclohexan-1-ol;toluene;hydrate
PubChem CID142076713
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name4-cyclohexylcyclohexan-1-ol;toluene;hydrate
SMILESCc1ccccc1.O.OC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C12H22O.C7H8.H2O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-7-5-3-2-4-6-7;/h10-13H,1-9H2;2-6H,1H3;1H2
InChIKeyMLTOXAYFMJXYQH-UHFFFAOYSA-N
XLogP4.29
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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toluene;hydrate
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ethane;methylcyclohexane;4-methylphenol;toluene
CID 142029697
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CID 142029696
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
cyclohexane;formaldehyde;toluene
CID 143236563
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
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cyclohexene;methylcyclohexane;toluene
CID 158972627

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylcyclohexan-1-ol;toluene;hydrate?
The IUPAC name of 4-cyclohexylcyclohexan-1-ol;toluene;hydrate (CID 142076713) is 4-cyclohexylcyclohexan-1-ol;toluene;hydrate.
What is the SMILES notation for 4-cyclohexylcyclohexan-1-ol;toluene;hydrate?
The canonical SMILES for 4-cyclohexylcyclohexan-1-ol;toluene;hydrate is Cc1ccccc1.O.OC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexylcyclohexan-1-ol;toluene;hydrate?
The InChIKey is MLTOXAYFMJXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C7H8.H2O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-7-5-3-2-4-6-7;/h10-13H,1-9H2;2-6H,1H3;1H2.
What are the key properties of 4-cyclohexylcyclohexan-1-ol;toluene;hydrate?
4-cyclohexylcyclohexan-1-ol;toluene;hydrate has a molecular weight of 292.46 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylcyclohexan-1-ol;toluene;hydrate is sourced from PubChem (CID 142076713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).