5-methylhex-2-ene

C7H14 — CID 18849

IUPAC5-methylhex-2-ene
SMILESCC=CCC(C)C
InChIInChI=1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3
InChIKeyGHBKCPRDHLITSE-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.61
Rot. Bonds2

About 5-methylhex-2-ene

5-methylhex-2-ene (PubChem CID 18849) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 5-methylhex-2-ene.

Molecular Properties

Compound Name5-methylhex-2-ene
PubChem CID18849
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name5-methylhex-2-ene
SMILESCC=CCC(C)C
InChIInChI=1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3
InChIKeyGHBKCPRDHLITSE-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.61
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-Methyl-2-pentene, (2Z)-
CID 5326159
4-Methyl-1-pentene
CID 12724
3-Heptene
CID 11612
Hex-2-ene
CID 19966
Hexene
CID 639661
2,3-Dimethyl-1,4-hexadiene
CID 5368910
4-Methyl-2-pentene
CID 12659
4-Methyl-2-pentene, (2E)-
CID 172092
1,4-Hexadiene, 4-methyl-, cis-
CID 5367525
3-Methylcyclopentene
CID 14263
2-Methyl-3-heptene, (3E)-
CID 5357255
2-Hexene, (2Z)-
CID 643835

Frequently Asked Questions

What is the IUPAC name of 5-methylhex-2-ene?
The IUPAC name of 5-methylhex-2-ene (CID 18849) is 5-methylhex-2-ene.
What is the SMILES notation for 5-methylhex-2-ene?
The canonical SMILES for 5-methylhex-2-ene is CC=CCC(C)C.
What is the InChIKey of 5-methylhex-2-ene?
The InChIKey is GHBKCPRDHLITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-methylhex-2-ene?
5-methylhex-2-ene has a molecular weight of 98.19 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-2-ene is sourced from PubChem (CID 18849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).