6-methyl-5-methylidenehepta-1,3,6-triene

C9H12 — CID 54100301

IUPAC6-methyl-5-methylidenehepta-1,3,6-triene
SMILESC=CC=CC(=C)C(=C)C
InChIInChI=1S/C9H12/c1-5-6-7-9(4)8(2)3/h5-7H,1-2,4H2,3H3
InChIKeyNABPMXRGVTZFHB-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.86
Rot. Bonds3

About 6-methyl-5-methylidenehepta-1,3,6-triene

6-methyl-5-methylidenehepta-1,3,6-triene (PubChem CID 54100301) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 6-methyl-5-methylidenehepta-1,3,6-triene.

Molecular Properties

Compound Name6-methyl-5-methylidenehepta-1,3,6-triene
PubChem CID54100301
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name6-methyl-5-methylidenehepta-1,3,6-triene
SMILESC=CC=CC(=C)C(=C)C
InChIInChI=1S/C9H12/c1-5-6-7-9(4)8(2)3/h5-7H,1-2,4H2,3H3
InChIKeyNABPMXRGVTZFHB-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.86
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

(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate
CID 174764747
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
N-ethyl-3-methylidenehepta-4,6-dien-2-imine
CID 123979704
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
2-methylidenehexa-3,5-dienoic acid;hydrate
CID 87513549
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932
(3Z,7Z)-2-methoxy-3-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142839425

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylidenehepta-1,3,6-triene?
The IUPAC name of 6-methyl-5-methylidenehepta-1,3,6-triene (CID 54100301) is 6-methyl-5-methylidenehepta-1,3,6-triene.
What is the SMILES notation for 6-methyl-5-methylidenehepta-1,3,6-triene?
The canonical SMILES for 6-methyl-5-methylidenehepta-1,3,6-triene is C=CC=CC(=C)C(=C)C.
What is the InChIKey of 6-methyl-5-methylidenehepta-1,3,6-triene?
The InChIKey is NABPMXRGVTZFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-5-6-7-9(4)8(2)3/h5-7H,1-2,4H2,3H3.
What are the key properties of 6-methyl-5-methylidenehepta-1,3,6-triene?
6-methyl-5-methylidenehepta-1,3,6-triene has a molecular weight of 120.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylidenehepta-1,3,6-triene is sourced from PubChem (CID 54100301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).