1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol

C14H26O2 — CID 103451987

IUPAC1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol
SMILESOC(C1CCCCC1)C1(O)CCCCCC1
InChIInChI=1S/C14H26O2/c15-13(12-8-4-3-5-9-12)14(16)10-6-1-2-7-11-14/h12-13,15-16H,1-11H2
InChIKeyABBVRTZWCLPSLJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds2

About 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol

1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol (PubChem CID 103451987) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol
PubChem CID103451987
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol
SMILESOC(C1CCCCC1)C1(O)CCCCCC1
InChIInChI=1S/C14H26O2/c15-13(12-8-4-3-5-9-12)14(16)10-6-1-2-7-11-14/h12-13,15-16H,1-11H2
InChIKeyABBVRTZWCLPSLJ-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
CID 103452199
1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol
CID 103452562
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448421
cyclohexyl-[1-(1,3-dioxolan-2-yl)cyclohexyl]methanol
CID 141162952
1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451663
1-(2-cyclopentyl-1-hydroxyethyl)cyclopentan-1-ol
CID 103448255
1-cyclohexylethanol;1-methylcyclooctan-1-ol
CID 18968457
(S)-cyclohexyl-(1-trimethylsilylcyclopropyl)methanol
CID 99771566
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
CID 79126283
1-(2-cyclopropyl-1-hydroxyethyl)cyclopentan-1-ol
CID 103448208

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol (CID 103451987) is 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol is OC(C1CCCCC1)C1(O)CCCCCC1.
What is the InChIKey of 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol?
The InChIKey is ABBVRTZWCLPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c15-13(12-8-4-3-5-9-12)14(16)10-6-1-2-7-11-14/h12-13,15-16H,1-11H2.
What are the key properties of 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol?
1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol is sourced from PubChem (CID 103451987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).