3-cyclohexyl-2-methylhept-2-enoic acid

C14H24O2 — CID 57303975

IUPAC3-cyclohexyl-2-methylhept-2-enoic acid
SMILESCCCCC(=C(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H24O2/c1-3-4-10-13(11(2)14(15)16)12-8-6-5-7-9-12/h12H,3-10H2,1-2H3,(H,15,16)
InChIKeyFBXFBQMPTBRJCY-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.16
Rot. Bonds5

About 3-cyclohexyl-2-methylhept-2-enoic acid

3-cyclohexyl-2-methylhept-2-enoic acid (PubChem CID 57303975) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-cyclohexyl-2-methylhept-2-enoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-methylhept-2-enoic acid
PubChem CID57303975
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-cyclohexyl-2-methylhept-2-enoic acid
SMILESCCCCC(=C(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H24O2/c1-3-4-10-13(11(2)14(15)16)12-8-6-5-7-9-12/h12H,3-10H2,1-2H3,(H,15,16)
InChIKeyFBXFBQMPTBRJCY-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methylhept-2-enoic acid?
The IUPAC name of 3-cyclohexyl-2-methylhept-2-enoic acid (CID 57303975) is 3-cyclohexyl-2-methylhept-2-enoic acid.
What is the SMILES notation for 3-cyclohexyl-2-methylhept-2-enoic acid?
The canonical SMILES for 3-cyclohexyl-2-methylhept-2-enoic acid is CCCCC(=C(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methylhept-2-enoic acid?
The InChIKey is FBXFBQMPTBRJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-10-13(11(2)14(15)16)12-8-6-5-7-9-12/h12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-cyclohexyl-2-methylhept-2-enoic acid?
3-cyclohexyl-2-methylhept-2-enoic acid has a molecular weight of 224.34 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methylhept-2-enoic acid is sourced from PubChem (CID 57303975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).