2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid

C11H18O2 — CID 130663138

IUPAC2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
SMILESC=C1CCCC(C)(C)[C@@H]1CC(=O)O
InChIInChI=1S/C11H18O2/c1-8-5-4-6-11(2,3)9(8)7-10(12)13/h9H,1,4-7H2,2-3H3,(H,12,13)/t9-/m1/s1
InChIKeyQMAONSMDNFCNMY-SECBINFHSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds2

About 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid

2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid (PubChem CID 130663138) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
PubChem CID130663138
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
SMILESC=C1CCCC(C)(C)[C@@H]1CC(=O)O
InChIInChI=1S/C11H18O2/c1-8-5-4-6-11(2,3)9(8)7-10(12)13/h9H,1,4-7H2,2-3H3,(H,12,13)/t9-/m1/s1
InChIKeyQMAONSMDNFCNMY-SECBINFHSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
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

5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid
CID 75163682
2-[(1S,4aS,4bS,8aR,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]acetic acid
CID 124858042
2-(2-chloroethyl)-1,1-dimethyl-3-methylidenecyclohexane
CID 71402169
N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine
CID 11085067
2-[(1S,2S)-2-ethenyl-2-methyl-6-oxocyclohexyl]acetic acid
CID 130847340
(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
(2S)-2-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,8-dimethyldeca-3,7-dienyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 132559350
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid
CID 11019846
[(E)-2-[(1S)-1-acetyloxy-2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-4-oxobut-2-enyl] acetate
CID 16664238
(1S,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulene-1-carboxylic acid
CID 102342706

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid?
The IUPAC name of 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid (CID 130663138) is 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid?
The canonical SMILES for 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid is C=C1CCCC(C)(C)[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid?
The InChIKey is QMAONSMDNFCNMY-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-4-6-11(2,3)9(8)7-10(12)13/h9H,1,4-7H2,2-3H3,(H,12,13)/t9-/m1/s1.
What are the key properties of 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid?
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid is sourced from PubChem (CID 130663138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).