5-cyclohexylhex-5-enoic acid

C12H20O2 — CID 121007365

IUPAC5-cyclohexylhex-5-enoic acid
SMILESC=C(CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-10(6-5-9-12(13)14)11-7-3-2-4-8-11/h11H,1-9H2,(H,13,14)
InChIKeySQNPJWJTFHGJQS-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.38
Rot. Bonds5

About 5-cyclohexylhex-5-enoic acid

5-cyclohexylhex-5-enoic acid (PubChem CID 121007365) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-cyclohexylhex-5-enoic acid.

Molecular Properties

Compound Name5-cyclohexylhex-5-enoic acid
PubChem CID121007365
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-cyclohexylhex-5-enoic acid
SMILESC=C(CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-10(6-5-9-12(13)14)11-7-3-2-4-8-11/h11H,1-9H2,(H,13,14)
InChIKeySQNPJWJTFHGJQS-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.38
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
Hymenoic acid
CID 25014973
3-Isopropenyl-6-oxoheptanoic acid
CID 4488713
Dihydroperillic acid
CID 381256
Alpha-(4-isobutyl(cyclohexen-1-yl))propionic acid
CID 118107
1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
CID 118108
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
2-(1-Cyclohexen-1-yl)hexanoic acid
CID 241595
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-alpha-ethyl-
CID 206758

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylhex-5-enoic acid?
The IUPAC name of 5-cyclohexylhex-5-enoic acid (CID 121007365) is 5-cyclohexylhex-5-enoic acid.
What is the SMILES notation for 5-cyclohexylhex-5-enoic acid?
The canonical SMILES for 5-cyclohexylhex-5-enoic acid is C=C(CCCC(=O)O)C1CCCCC1.
What is the InChIKey of 5-cyclohexylhex-5-enoic acid?
The InChIKey is SQNPJWJTFHGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(6-5-9-12(13)14)11-7-3-2-4-8-11/h11H,1-9H2,(H,13,14).
What are the key properties of 5-cyclohexylhex-5-enoic acid?
5-cyclohexylhex-5-enoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylhex-5-enoic acid is sourced from PubChem (CID 121007365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).