3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene

C11H16 — CID 143522614

IUPAC3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
SMILESC=CC(C=C)=CC(=C)C(C)C
InChIInChI=1S/C11H16/c1-6-11(7-2)8-10(5)9(3)4/h6-9H,1-2,5H2,3-4H3
InChIKeyQIVXBWAWGCOQRL-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.50
Rot. Bonds4

About 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene

3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene (PubChem CID 143522614) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
PubChem CID143522614
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
SMILESC=CC(C=C)=CC(=C)C(C)C
InChIInChI=1S/C11H16/c1-6-11(7-2)8-10(5)9(3)4/h6-9H,1-2,5H2,3-4H3
InChIKeyQIVXBWAWGCOQRL-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane
CID 144746794
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
CID 130348009
ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
CID 145476448
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]hydrazine
CID 170144410
(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
CID 145087185
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
7-methyl-3,6-dimethylideneoct-1-ene
CID 102247656
O-[(Z)-4-methyl-3-methylidenepent-1-enyl]hydroxylamine
CID 147805987
(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine
CID 134267284
4-methylpent-1-en-3-ylidenevanadium
CID 162282723
4-methyl-3,5,6-trimethylideneocta-1,7-diene
CID 59145882

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene?
The IUPAC name of 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene (CID 143522614) is 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene is C=CC(C=C)=CC(=C)C(C)C.
What is the InChIKey of 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene?
The InChIKey is QIVXBWAWGCOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-6-11(7-2)8-10(5)9(3)4/h6-9H,1-2,5H2,3-4H3.
What are the key properties of 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene?
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 143522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).