7-methylocta-1,2-diene

C9H16 — CID 90830179

IUPAC7-methylocta-1,2-diene
SMILESC=C=CCCCC(C)C
InChIInChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h5,9H,1,6-8H2,2-3H3
InChIKeyHJUNHVGKAAMZAB-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.15
Rot. Bonds4

About 7-methylocta-1,2-diene

7-methylocta-1,2-diene (PubChem CID 90830179) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 7-methylocta-1,2-diene.

Molecular Properties

Compound Name7-methylocta-1,2-diene
PubChem CID90830179
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name7-methylocta-1,2-diene
SMILESC=C=CCCCC(C)C
InChIInChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h5,9H,1,6-8H2,2-3H3
InChIKeyHJUNHVGKAAMZAB-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-methylocta-1,2-diene 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

nona-7,8-dien-2-ol
CID 121332931
19-methyltricosa-1,2-diene
CID 91801678
10-methylundec-1-en-1-one
CID 57250938
pentacosa-1,2-diene
CID 91256364
docosa-1,2-diene
CID 90871698
6-chlorohexa-1,2-diene
CID 11137141
(E)-2,12-dimethyltridec-6-ene
CID 176630963
13-ethylhexacosa-1,2-diene
CID 91273898
8-methyl-4-methylidenenona-1,2-diene
CID 174249080
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989

Frequently Asked Questions

What is the IUPAC name of 7-methylocta-1,2-diene?
The IUPAC name of 7-methylocta-1,2-diene (CID 90830179) is 7-methylocta-1,2-diene.
What is the SMILES notation for 7-methylocta-1,2-diene?
The canonical SMILES for 7-methylocta-1,2-diene is C=C=CCCCC(C)C.
What is the InChIKey of 7-methylocta-1,2-diene?
The InChIKey is HJUNHVGKAAMZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h5,9H,1,6-8H2,2-3H3.
What are the key properties of 7-methylocta-1,2-diene?
7-methylocta-1,2-diene has a molecular weight of 124.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylocta-1,2-diene is sourced from PubChem (CID 90830179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).