2,4,6-tripropylcyclohexane-1-carboxylic acid

C16H30O2 — CID 135149042

IUPAC2,4,6-tripropylcyclohexane-1-carboxylic acid
SMILESCCCC1CC(CCC)C(C(=O)O)C(CCC)C1
InChIInChI=1S/C16H30O2/c1-4-7-12-10-13(8-5-2)15(16(17)18)14(11-12)9-6-3/h12-15H,4-11H2,1-3H3,(H,17,18)
InChIKeyAHJPZQITTLHJJH-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.73
Rot. Bonds7

About 2,4,6-tripropylcyclohexane-1-carboxylic acid

2,4,6-tripropylcyclohexane-1-carboxylic acid (PubChem CID 135149042) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2,4,6-tripropylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,4,6-tripropylcyclohexane-1-carboxylic acid
PubChem CID135149042
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2,4,6-tripropylcyclohexane-1-carboxylic acid
SMILESCCCC1CC(CCC)C(C(=O)O)C(CCC)C1
InChIInChI=1S/C16H30O2/c1-4-7-12-10-13(8-5-2)15(16(17)18)14(11-12)9-6-3/h12-15H,4-11H2,1-3H3,(H,17,18)
InChIKeyAHJPZQITTLHJJH-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 139838186
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
CID 20622006
4-propyl-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-1-carboxylic acid
CID 102152205
3-octylcyclobutane-1-carboxylic acid
CID 19430953
2-but-3-enyl-4-propylcyclohexane-1-carboxylic acid
CID 81020893
4-propylcyclononane-1-carboxylic acid
CID 123911377
methyl 3-propylcyclobutane-1-carboxylate
CID 97034582
3-amino-2-propylcyclobutane-1-carboxylic acid
CID 123989356
3-propylpyrrolidine-2-carboxylic acid
CID 14482017

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tripropylcyclohexane-1-carboxylic acid?
The IUPAC name of 2,4,6-tripropylcyclohexane-1-carboxylic acid (CID 135149042) is 2,4,6-tripropylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,4,6-tripropylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2,4,6-tripropylcyclohexane-1-carboxylic acid is CCCC1CC(CCC)C(C(=O)O)C(CCC)C1.
What is the InChIKey of 2,4,6-tripropylcyclohexane-1-carboxylic acid?
The InChIKey is AHJPZQITTLHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-7-12-10-13(8-5-2)15(16(17)18)14(11-12)9-6-3/h12-15H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2,4,6-tripropylcyclohexane-1-carboxylic acid?
2,4,6-tripropylcyclohexane-1-carboxylic acid has a molecular weight of 254.41 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tripropylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 135149042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).