7-methyldeca-1,5-diene

C11H20 — CID 123987303

IUPAC7-methyldeca-1,5-diene
SMILESC=CCCC=CC(C)CCC
InChIInChI=1S/C11H20/c1-4-6-7-8-10-11(3)9-5-2/h4,8,10-11H,1,5-7,9H2,2-3H3
InChIKeyYUKLNSWNHBRPRN-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds6

About 7-methyldeca-1,5-diene

7-methyldeca-1,5-diene (PubChem CID 123987303) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 7-methyldeca-1,5-diene.

Molecular Properties

Compound Name7-methyldeca-1,5-diene
PubChem CID123987303
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name7-methyldeca-1,5-diene
SMILESC=CCCC=CC(C)CCC
InChIInChI=1S/C11H20/c1-4-6-7-8-10-11(3)9-5-2/h4,8,10-11H,1,5-7,9H2,2-3H3
InChIKeyYUKLNSWNHBRPRN-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-methyldeca-1,5-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

(6R)-6-methylnon-4-ene
CID 175484589
(5E)-nona-1,5-diene
CID 6429608
5-methyldodec-6-ene
CID 86165480
(Z)-4-methylhept-2-ene
CID 5352649
(E)-N,4-dimethylhept-2-en-1-amine
CID 131243211
(4Z)-2,6-dimethylnona-1,4-diene
CID 142337517
5-methylpentadec-6-ene
CID 123440014
(E)-10-methylheptadec-8-ene
CID 10923034
7-methylhexadec-5-ene
CID 150059561
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-3-methylhex-1-ene-1-thiol
CID 88973793
(5E)-deca-1,5,9-triene
CID 5362636

Frequently Asked Questions

What is the IUPAC name of 7-methyldeca-1,5-diene?
The IUPAC name of 7-methyldeca-1,5-diene (CID 123987303) is 7-methyldeca-1,5-diene.
What is the SMILES notation for 7-methyldeca-1,5-diene?
The canonical SMILES for 7-methyldeca-1,5-diene is C=CCCC=CC(C)CCC.
What is the InChIKey of 7-methyldeca-1,5-diene?
The InChIKey is YUKLNSWNHBRPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-6-7-8-10-11(3)9-5-2/h4,8,10-11H,1,5-7,9H2,2-3H3.
What are the key properties of 7-methyldeca-1,5-diene?
7-methyldeca-1,5-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyldeca-1,5-diene is sourced from PubChem (CID 123987303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).