(Z)-5-methyl-4-methylidenehept-2-ene

C9H16 — CID 142042502

IUPAC(Z)-5-methyl-4-methylidenehept-2-ene
SMILESC=C(/C=C\C)C(C)CC
InChIInChI=1S/C9H16/c1-5-7-9(4)8(3)6-2/h5,7-8H,4,6H2,1-3H3/b7-5-
InChIKeyNBRXBDRSCPQOEE-ALCCZGGFSA-N
MW124.23 g/mol
LogP3.16
Rot. Bonds3

About (Z)-5-methyl-4-methylidenehept-2-ene

(Z)-5-methyl-4-methylidenehept-2-ene (PubChem CID 142042502) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (Z)-5-methyl-4-methylidenehept-2-ene.

Molecular Properties

Compound Name(Z)-5-methyl-4-methylidenehept-2-ene
PubChem CID142042502
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(Z)-5-methyl-4-methylidenehept-2-ene
SMILESC=C(/C=C\C)C(C)CC
InChIInChI=1S/C9H16/c1-5-7-9(4)8(3)6-2/h5,7-8H,4,6H2,1-3H3/b7-5-
InChIKeyNBRXBDRSCPQOEE-ALCCZGGFSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.16
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 (Z)-5-methyl-4-methylidenehept-2-ene?
The IUPAC name of (Z)-5-methyl-4-methylidenehept-2-ene (CID 142042502) is (Z)-5-methyl-4-methylidenehept-2-ene.
What is the SMILES notation for (Z)-5-methyl-4-methylidenehept-2-ene?
The canonical SMILES for (Z)-5-methyl-4-methylidenehept-2-ene is C=C(/C=C\C)C(C)CC.
What is the InChIKey of (Z)-5-methyl-4-methylidenehept-2-ene?
The InChIKey is NBRXBDRSCPQOEE-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16/c1-5-7-9(4)8(3)6-2/h5,7-8H,4,6H2,1-3H3/b7-5-.
What are the key properties of (Z)-5-methyl-4-methylidenehept-2-ene?
(Z)-5-methyl-4-methylidenehept-2-ene has a molecular weight of 124.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-4-methylidenehept-2-ene is sourced from PubChem (CID 142042502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).