ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid

C13H22O2 — CID 174766261

IUPACethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid
SMILESC=C.C=C1CCCC(C)(C)C1(C)C(=O)O
InChIInChI=1S/C11H18O2.C2H4/c1-8-6-5-7-10(2,3)11(8,4)9(12)13;1-2/h1,5-7H2,2-4H3,(H,12,13);1-2H2
InChIKeyKVSAHMGEWQIPMG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.65
Rot. Bonds1

About ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid

ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid (PubChem CID 174766261) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nameethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid
PubChem CID174766261
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid
SMILESC=C.C=C1CCCC(C)(C)C1(C)C(=O)O
InChIInChI=1S/C11H18O2.C2H4/c1-8-6-5-7-10(2,3)11(8,4)9(12)13;1-2/h1,5-7H2,2-4H3,(H,12,13);1-2H2
InChIKeyKVSAHMGEWQIPMG-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.65
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

2-[(1-methyl-2-methylidenecyclohexyl)methyl]prop-2-enoic acid
CID 90257237
(6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde
CID 86287600
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
CID 130663138
(1S,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulene-1-carboxylic acid
CID 102342706
1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79853126
(2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane
CID 56843547
(E)-4-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylbut-3-en-2-one
CID 25155605
(2S)-2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propanoic acid
CID 162892275
1-methyl-2-propan-2-ylidenecyclopentane-1-carboxylic acid
CID 118389135
methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate
CID 130942720
2-(8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
CID 14705650

Frequently Asked Questions

What is the IUPAC name of ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid?
The IUPAC name of ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid (CID 174766261) is ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid.
What is the SMILES notation for ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid?
The canonical SMILES for ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid is C=C.C=C1CCCC(C)(C)C1(C)C(=O)O.
What is the InChIKey of ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid?
The InChIKey is KVSAHMGEWQIPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2.C2H4/c1-8-6-5-7-10(2,3)11(8,4)9(12)13;1-2/h1,5-7H2,2-4H3,(H,12,13);1-2H2.
What are the key properties of ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid?
ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,2,2-trimethyl-6-methylidenecyclohexane-1-carboxylic acid is sourced from PubChem (CID 174766261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).