3-methylhept-1-ene

C8H16 — CID 20946

IUPAC3-methylhept-1-ene
SMILESC=CC(C)CCCC
InChIInChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyQDMFTFWKTYXBIW-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds4

About 3-methylhept-1-ene

3-methylhept-1-ene (PubChem CID 20946) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 3-methylhept-1-ene.

Molecular Properties

Compound Name3-methylhept-1-ene
PubChem CID20946
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name3-methylhept-1-ene
SMILESC=CC(C)CCCC
InChIInChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyQDMFTFWKTYXBIW-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dimethyl-1-hexene
CID 27683
3,4-Dimethyl-1-hexene
CID 140134
6-Methyl-1-heptene
CID 21122
1-Heptene, 5-methyl-
CID 99888
4-Ethyl-1-hexene
CID 123365
5-Methyl-1-hexene
CID 77058
1-Hexene, 3,5,5-trimethyl-
CID 92984
3,7-Dimethyloct-1-ene
CID 21085
3-Methyl-1-hexene
CID 18848
1-Hexene, 5,5-dimethyl-
CID 23502
10-Methyl-1-undecene
CID 519941
2,5-Dimethyl-1-hexene
CID 33451

Frequently Asked Questions

What is the IUPAC name of 3-methylhept-1-ene?
The IUPAC name of 3-methylhept-1-ene (CID 20946) is 3-methylhept-1-ene.
What is the SMILES notation for 3-methylhept-1-ene?
The canonical SMILES for 3-methylhept-1-ene is C=CC(C)CCCC.
What is the InChIKey of 3-methylhept-1-ene?
The InChIKey is QDMFTFWKTYXBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 3-methylhept-1-ene?
3-methylhept-1-ene has a molecular weight of 112.22 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhept-1-ene is sourced from PubChem (CID 20946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).