6-methyl-3-prop-1-en-2-ylhept-6-enoic acid

C11H18O2 — CID 175242671

IUPAC6-methyl-3-prop-1-en-2-ylhept-6-enoic acid
SMILESC=C(C)CCC(CC(=O)O)C(=C)C
InChIInChI=1S/C11H18O2/c1-8(2)5-6-10(9(3)4)7-11(12)13/h10H,1,3,5-7H2,2,4H3,(H,12,13)
InChIKeyMSYISVHISPSGGF-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.01
Rot. Bonds6

About 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid

6-methyl-3-prop-1-en-2-ylhept-6-enoic acid (PubChem CID 175242671) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid.

Molecular Properties

Compound Name6-methyl-3-prop-1-en-2-ylhept-6-enoic acid
PubChem CID175242671
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-methyl-3-prop-1-en-2-ylhept-6-enoic acid
SMILESC=C(C)CCC(CC(=O)O)C(=C)C
InChIInChI=1S/C11H18O2/c1-8(2)5-6-10(9(3)4)7-11(12)13/h10H,1,3,5-7H2,2,4H3,(H,12,13)
InChIKeyMSYISVHISPSGGF-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dimethylhept-6-enoic acid
CID 114477602
4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid
CID 175242680
(2R)-2-(3-oxobutyl)butanedioic acid
CID 88997259
(4R)-5-methyl-4-(2-oxoethyl)hex-5-enoic acid
CID 122408291
(3S)-3-prop-1-en-2-ylhept-5-ynoic acid
CID 138976992
4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid
CID 166931605
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
3-acetylpentanedioic acid
CID 19838981
4-(2,4-dimethylpent-4-enoylamino)pentanoic acid
CID 120689381
(3S)-3-hydroxy-4-methylpent-4-enoic acid
CID 75481565
2,7-dimethyl-5-prop-1-en-2-ylnona-1,8-diene
CID 572166
(8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene
CID 170590689

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid?
The IUPAC name of 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid (CID 175242671) is 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid.
What is the SMILES notation for 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid?
The canonical SMILES for 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid is C=C(C)CCC(CC(=O)O)C(=C)C.
What is the InChIKey of 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid?
The InChIKey is MSYISVHISPSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)5-6-10(9(3)4)7-11(12)13/h10H,1,3,5-7H2,2,4H3,(H,12,13).
What are the key properties of 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid?
6-methyl-3-prop-1-en-2-ylhept-6-enoic acid has a molecular weight of 182.26 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-1-en-2-ylhept-6-enoic acid is sourced from PubChem (CID 175242671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).