3-methylhept-2-ene

C8H15+ — CID 91513604

IUPAC3-methylhept-2-ene
SMILES[CH2+]CCCC(C)=CC
InChIInChI=1S/C8H15/c1-4-6-7-8(3)5-2/h5H,1,4,6-7H2,2-3H3/q+1
InChIKeySCEGKZHIOLBTNU-UHFFFAOYSA-N
MW111.21 g/mol
LogP2.96
Rot. Bonds3

About 3-methylhept-2-ene

3-methylhept-2-ene (PubChem CID 91513604) has the molecular formula C8H15+ and a molecular weight of 111.21 g/mol. Its IUPAC name is 3-methylhept-2-ene.

Molecular Properties

Compound Name3-methylhept-2-ene
PubChem CID91513604
Molecular FormulaC8H15+
Molecular Weight111.21 g/mol
Exact Mass111.12
IUPAC Name3-methylhept-2-ene
SMILES[CH2+]CCCC(C)=CC
InChIInChI=1S/C8H15/c1-4-6-7-8(3)5-2/h5H,1,4,6-7H2,2-3H3/q+1
InChIKeySCEGKZHIOLBTNU-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methylhex-4-en-1-amine
CID 55285525
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
(E)-3-methyl-6-methylsulfanylhex-2-ene
CID 87187682
3,7-dimethyldeca-2,7-diene
CID 173346067
(Z)-3-methylpent-3-en-1-ol
CID 12576400
11-methyltrideca-1,11-diene
CID 139774754
(E)-7-methylnon-7-en-2-ol
CID 87112296
7-methylnon-7-en-2-ol
CID 123441222
(E)-3-methyl-6-propylsulfanylhex-2-ene
CID 173027047
(Z)-N-ethenyl-4-methylhex-4-en-1-amine
CID 170086323

Frequently Asked Questions

What is the IUPAC name of 3-methylhept-2-ene?
The IUPAC name of 3-methylhept-2-ene (CID 91513604) is 3-methylhept-2-ene.
What is the SMILES notation for 3-methylhept-2-ene?
The canonical SMILES for 3-methylhept-2-ene is [CH2+]CCCC(C)=CC.
What is the InChIKey of 3-methylhept-2-ene?
The InChIKey is SCEGKZHIOLBTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15/c1-4-6-7-8(3)5-2/h5H,1,4,6-7H2,2-3H3/q+1.
What are the key properties of 3-methylhept-2-ene?
3-methylhept-2-ene has a molecular weight of 111.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhept-2-ene is sourced from PubChem (CID 91513604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).