4-methylidene-5-propyloct-2-ene

C12H22 — CID 90714762

IUPAC4-methylidene-5-propyloct-2-ene
SMILESC=C(C=CC)C(CCC)CCC
InChIInChI=1S/C12H22/c1-5-8-11(4)12(9-6-2)10-7-3/h5,8,12H,4,6-7,9-10H2,1-3H3
InChIKeyNLYQDNYGZBHABM-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds6

About 4-methylidene-5-propyloct-2-ene

4-methylidene-5-propyloct-2-ene (PubChem CID 90714762) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-methylidene-5-propyloct-2-ene.

Molecular Properties

Compound Name4-methylidene-5-propyloct-2-ene
PubChem CID90714762
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-methylidene-5-propyloct-2-ene
SMILESC=C(C=CC)C(CCC)CCC
InChIInChI=1S/C12H22/c1-5-8-11(4)12(9-6-2)10-7-3/h5,8,12H,4,6-7,9-10H2,1-3H3
InChIKeyNLYQDNYGZBHABM-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methylidene-5-propyloct-2-ene 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

(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
N-ethyl-3-methylidenehex-4-en-2-amine
CID 123937669
(2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene
CID 144529342
(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine
CID 170144451
N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane
CID 178010353
(Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine
CID 170143901
(2E,4Z)-5-[(Z)-prop-1-enyl]-6-propylnona-2,4-dienenitrile
CID 130216561
(3Z)-octa-1,3-diene-2,5-diamine
CID 166682771
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
(2Z,4Z)-3-methyl-6-methylidene-7-propan-2-yldeca-2,4-diene
CID 156738018
(Z)-5-ethyl-4-ethylidenehept-2-ene
CID 58547926
(Z)-2-propylhex-4-enoic acid
CID 59965143

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-propyloct-2-ene?
The IUPAC name of 4-methylidene-5-propyloct-2-ene (CID 90714762) is 4-methylidene-5-propyloct-2-ene.
What is the SMILES notation for 4-methylidene-5-propyloct-2-ene?
The canonical SMILES for 4-methylidene-5-propyloct-2-ene is C=C(C=CC)C(CCC)CCC.
What is the InChIKey of 4-methylidene-5-propyloct-2-ene?
The InChIKey is NLYQDNYGZBHABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-8-11(4)12(9-6-2)10-7-3/h5,8,12H,4,6-7,9-10H2,1-3H3.
What are the key properties of 4-methylidene-5-propyloct-2-ene?
4-methylidene-5-propyloct-2-ene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-propyloct-2-ene is sourced from PubChem (CID 90714762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).