1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid

C17H30O3 — CID 103161258

IUPAC1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCCC(CC(O)CC2CCCC2)(C(=O)O)C1
InChIInChI=1S/C17H30O3/c1-2-13-8-5-9-17(11-13,16(19)20)12-15(18)10-14-6-3-4-7-14/h13-15,18H,2-12H2,1H3,(H,19,20)
InChIKeyPKSQKEMUQPTQRM-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.99
Rot. Bonds6

About 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid

1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid (PubChem CID 103161258) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid
PubChem CID103161258
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCCC(CC(O)CC2CCCC2)(C(=O)O)C1
InChIInChI=1S/C17H30O3/c1-2-13-8-5-9-17(11-13,16(19)20)12-15(18)10-14-6-3-4-7-14/h13-15,18H,2-12H2,1H3,(H,19,20)
InChIKeyPKSQKEMUQPTQRM-UHFFFAOYSA-N
XLogP3.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxylic acid, 1-(2-hydroxypropyl)-, sodium salt
CID 23681626
2-(4-Hydroxycyclohexyl)-2-methylpropanoic acid
CID 57449962
2-[(1S,2R)-2-hydroxycyclohexyl]-2-methylpropanoic acid
CID 68583044
Lithium mentholate
CID 129695093
Potassium mentholate
CID 129807818
1-(2-Hydroxypropyl)cyclohexane-1-carboxylic acid
CID 3060309
Fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate
CID 174957614
8-Hydroxy-2,2,4,14-tetramethyl-pentadecanedioic acid
CID 172676285
3-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxylic acid
CID 79425204
4-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxylic acid
CID 79426279
4-Butyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxylic acid
CID 79426412
3-Ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
CID 79428293

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid (CID 103161258) is 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid is CCC1CCCC(CC(O)CC2CCCC2)(C(=O)O)C1.
What is the InChIKey of 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid?
The InChIKey is PKSQKEMUQPTQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-13-8-5-9-17(11-13,16(19)20)12-15(18)10-14-6-3-4-7-14/h13-15,18H,2-12H2,1H3,(H,19,20).
What are the key properties of 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid?
1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid has a molecular weight of 282.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 103161258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).