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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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).