1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol

C16H30O3 — CID 157371740

IUPAC1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol
SMILESCC1(C(=O)O)CCCCC1.CC1(CO)CCCCC1
InChIInChI=1S/C8H14O2.C8H16O/c1-8(7(9)10)5-3-2-4-6-8;1-8(7-9)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10);9H,2-7H2,1H3
InChIKeyBJVQALDQGIZOLI-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.99
Rot. Bonds2

About 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol

1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol (PubChem CID 157371740) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol
PubChem CID157371740
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol
SMILESCC1(C(=O)O)CCCCC1.CC1(CO)CCCCC1
InChIInChI=1S/C8H14O2.C8H16O/c1-8(7(9)10)5-3-2-4-6-8;1-8(7-9)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10);9H,2-7H2,1H3
InChIKeyBJVQALDQGIZOLI-UHFFFAOYSA-N
XLogP3.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclododecyl)methanol
CID 70130772
1,6,6-trimethylcycloundecane-1-carboxylic acid
CID 70908763
5-(hydroxymethyl)-1,3,5-trimethylcyclohexane-1,3-dicarboxylic acid
CID 129120880
4,4-diethyl-1-methylcyclohexane-1-carboxylic acid
CID 167456662
4-chloro-1,4-dimethylcyclohexane-1-carboxylic acid
CID 4227726
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
(4-methyl-1,1-dioxothian-4-yl)methanol
CID 129107203
1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)
CID 160742592
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
2-(1-methylcyclohexyl)ethyl acetate
CID 70251628
2-hydroxyethyl 1-methylcyclohexane-1-carboxylate
CID 165353506

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol?
The IUPAC name of 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol (CID 157371740) is 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol.
What is the SMILES notation for 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol?
The canonical SMILES for 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol is CC1(C(=O)O)CCCCC1.CC1(CO)CCCCC1.
What is the InChIKey of 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol?
The InChIKey is BJVQALDQGIZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C8H16O/c1-8(7(9)10)5-3-2-4-6-8;1-8(7-9)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10);9H,2-7H2,1H3.
What are the key properties of 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol?
1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol has a molecular weight of 270.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol is sourced from PubChem (CID 157371740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).