cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid

C10H16O2 — CID 155934842

IUPACcis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(C)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H16O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyOVBVUOYQSDCQRY-RKDXNWHRSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds2

About cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid

cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid (PubChem CID 155934842) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid
PubChem CID155934842
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(C)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H16O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyOVBVUOYQSDCQRY-RKDXNWHRSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
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

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
3-Isopropenyl-6-oxoheptanoic acid
CID 4488713
Dihydroperillic acid
CID 381256
(4E)-4-(4-methylpent-3-en-1-ylidene)cyclohexane-1,2-dicarboxylic acid
CID 5310782
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-
CID 206756
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-alpha-methyl-
CID 206757
2-(Prop-2-en-1-yl)heptanoicacid
CID 13010746
(3R)-3-isopropenyl-6-oxoheptanoic acid
CID 443189
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-alpha-ethyl-
CID 206758
beta,4-Dimethylcyclohex-3-ene-1-propionic acid
CID 6454955
4-Methylidenecyclohexane-1-carboxylic acid
CID 14831547
2-(4-Methylidenecyclohexyl)acetic acid
CID 91169202

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid (CID 155934842) is cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid is C=C(C)[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is OVBVUOYQSDCQRY-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 155934842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).