5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid

C15H26O2 — CID 75163682

IUPAC5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid
SMILESC=C1CCCC(C)(C)C1CCC(C)CC(=O)O
InChIInChI=1S/C15H26O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h11,13H,2,5-10H2,1,3-4H3,(H,16,17)
InChIKeyHOHBPQJOCNDYKZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.26
Rot. Bonds5

About 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid

5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid (PubChem CID 75163682) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid.

Molecular Properties

Compound Name5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid
PubChem CID75163682
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid
SMILESC=C1CCCC(C)(C)C1CCC(C)CC(=O)O
InChIInChI=1S/C15H26O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h11,13H,2,5-10H2,1,3-4H3,(H,16,17)
InChIKeyHOHBPQJOCNDYKZ-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-5-[(1S,4S)-4-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid
CID 162909973
5-[(1S,4S)-4-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid
CID 139584863
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
CID 130663138
(3S)-5-[(1R,4aS,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
CID 101289597
(1R,4aR,5R,8aR)-5-[(3S)-4-carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 163003789
(3R)-5-[(1R,4aS,5R,8aS)-5-formyl-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
CID 162968448
(3R)-5-[(1S,4aR,5R,8aR)-5-(acetyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
CID 163058384
2-(2-chloroethyl)-1,1-dimethyl-3-methylidenecyclohexane
CID 71402169
methyl (3S)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
CID 162973414
2-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl]butanedioic acid
CID 163046740
(3S)-5-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
CID 154497742
1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one
CID 552408

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid?
The IUPAC name of 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid (CID 75163682) is 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid.
What is the SMILES notation for 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid?
The canonical SMILES for 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid is C=C1CCCC(C)(C)C1CCC(C)CC(=O)O.
What is the InChIKey of 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid?
The InChIKey is HOHBPQJOCNDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h11,13H,2,5-10H2,1,3-4H3,(H,16,17).
What are the key properties of 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid?
5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid is sourced from PubChem (CID 75163682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).