(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene

C9H12 — CID 58174936

IUPAC(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
SMILESC=CC(=C)/C=C\C(=C)C
InChIInChI=1S/C9H12/c1-5-9(4)7-6-8(2)3/h5-7H,1-2,4H2,3H3/b7-6-
InChIKeyHCASPONBRUORAA-SREVYHEPSA-N
MW120.19 g/mol
LogP2.86
Rot. Bonds3

About (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene

(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene (PubChem CID 58174936) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene.

Molecular Properties

Compound Name(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
PubChem CID58174936
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
SMILESC=CC(=C)/C=C\C(=C)C
InChIInChI=1S/C9H12/c1-5-9(4)7-6-8(2)3/h5-7H,1-2,4H2,3H3/b7-6-
InChIKeyHCASPONBRUORAA-SREVYHEPSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene?
The IUPAC name of (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene (CID 58174936) is (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene.
What is the SMILES notation for (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene?
The canonical SMILES for (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene is C=CC(=C)/C=C\C(=C)C.
What is the InChIKey of (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene?
The InChIKey is HCASPONBRUORAA-SREVYHEPSA-N. The full InChI is InChI=1S/C9H12/c1-5-9(4)7-6-8(2)3/h5-7H,1-2,4H2,3H3/b7-6-.
What are the key properties of (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene?
(3Z)-2-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 (3Z)-2-methyl-5-methylidenehepta-1,3,6-triene is sourced from PubChem (CID 58174936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).