6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid

C10H14O2 — CID 14321814

IUPAC6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid
SMILESC=C1CCC2C(C)(C)C12C(=O)O
InChIInChI=1S/C10H14O2/c1-6-4-5-7-9(2,3)10(6,7)8(11)12/h7H,1,4-5H2,2-3H3,(H,11,12)
InChIKeyZAWJTWONVJZGSZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.06
Rot. Bonds1

About 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid

6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 14321814) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID14321814
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid
SMILESC=C1CCC2C(C)(C)C12C(=O)O
InChIInChI=1S/C10H14O2/c1-6-4-5-7-9(2,3)10(6,7)8(11)12/h7H,1,4-5H2,2-3H3,(H,11,12)
InChIKeyZAWJTWONVJZGSZ-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.06
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

(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
CID 134995170
2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid
CID 7140308
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2,2-dicarboxylic acid
CID 66610288
(1R,4aS,5S,8aS)-5-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 162882889
(1S,3S,4R)-3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CID 124528111
5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid
CID 72815020
ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid
CID 174766261
methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973
(1R,2R,4aR,5S,8aR)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 154776181
(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 121225492
(1S,4aS,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 154497753
7-methylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 58749444

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid (CID 14321814) is 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid is C=C1CCC2C(C)(C)C12C(=O)O.
What is the InChIKey of 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is ZAWJTWONVJZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-4-5-7-9(2,3)10(6,7)8(11)12/h7H,1,4-5H2,2-3H3,(H,11,12).
What are the key properties of 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid?
6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 14321814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).