2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

C15H28O2 — CID 81020503

IUPAC2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCCC(C)CC1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C15H28O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10-14H,5-9H2,1-4H3,(H,16,17)
InChIKeyKDPYMJKSAFKIML-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.20
Rot. Bonds5

About 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81020503) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81020503
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCCC(C)CC1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C15H28O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10-14H,5-9H2,1-4H3,(H,16,17)
InChIKeyKDPYMJKSAFKIML-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020903
2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021482
1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane
CID 63471498
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 103019615
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1-carboxylic acid
CID 81013437
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81020503) is 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is CCC(C)CC1CC(C(C)C)CCC1C(=O)O.
What is the InChIKey of 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is KDPYMJKSAFKIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10-14H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 240.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).