2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid

C14H22O2 — CID 11586606

IUPAC2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid
SMILESC=C(C)[C@@H]1CCC(C)=C[C@@H]1C(C)(C)C(=O)O
InChIInChI=1S/C14H22O2/c1-9(2)11-7-6-10(3)8-12(11)14(4,5)13(15)16/h8,11-12H,1,6-7H2,2-5H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyPJZGFNICYFSMNX-RYUDHWBXSA-N
MW222.33 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid

2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid (PubChem CID 11586606) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid
PubChem CID11586606
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid
SMILESC=C(C)[C@@H]1CCC(C)=C[C@@H]1C(C)(C)C(=O)O
InChIInChI=1S/C14H22O2/c1-9(2)11-7-6-10(3)8-12(11)14(4,5)13(15)16/h8,11-12H,1,6-7H2,2-5H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyPJZGFNICYFSMNX-RYUDHWBXSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
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

(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol
CID 146332786
(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 167459403
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-[(6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-4-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 155605936
1-methyl-3-propan-2-yl-4-prop-1-en-2-ylcyclohexene
CID 164823241
2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)acetaldehyde
CID 146512478
[(1R,2E,6E,10E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-yl] acetate
CID 14217930
2-amino-4-methylcyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 19958299
2,4-dihydroxy-6-methyl-3-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzoic acid
CID 158896633
4-[3,5-dihydroxy-4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]phenyl]benzoic acid
CID 146453758
3-(2,4-dimethylcyclohex-3-en-1-yl)-3-methylbutan-2-one
CID 175196840
6-ethyl-2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzoic acid
CID 170610378
(1Z,5Z,7S,8S,11E)-7-acetyloxy-5,11-dimethyl-8-prop-1-en-2-ylcyclotetradeca-1,5,11-triene-1-carboxylic acid
CID 162937994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid (CID 11586606) is 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid is C=C(C)[C@@H]1CCC(C)=C[C@@H]1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid?
The InChIKey is PJZGFNICYFSMNX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22O2/c1-9(2)11-7-6-10(3)8-12(11)14(4,5)13(15)16/h8,11-12H,1,6-7H2,2-5H3,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid?
2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid has a molecular weight of 222.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]propanoic acid is sourced from PubChem (CID 11586606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).