hept-3-ene

C7H14 — CID 11612

IUPAChept-3-ene
SMILESCCC=CCCC
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyWZHKDGJSXCTSCK-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.75
Rot. Bonds3

About hept-3-ene

hept-3-ene (PubChem CID 11612) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is hept-3-ene.

Molecular Properties

Compound Namehept-3-ene
PubChem CID11612
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Namehept-3-ene
SMILESCCC=CCCC
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyWZHKDGJSXCTSCK-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.75
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

1-Pentene
CID 8004
1,5-Cyclooctadiene
CID 82916
cis-2-PENTENE
CID 5326160
trans-2-Pentene
CID 5326161
Cyclopentene
CID 8882
4-Methyl-2-pentene, (2Z)-
CID 5326159
1,4-Hexadiene
CID 11599
1,5,9-Cyclododecatriene
CID 12668
Hex-2-ene
CID 19966
Pent-2-ene
CID 12585
Pentylene
CID 32932
1-Pentene 2-pentene
CID 19097016

Frequently Asked Questions

What is the IUPAC name of hept-3-ene?
The IUPAC name of hept-3-ene (CID 11612) is hept-3-ene.
What is the SMILES notation for hept-3-ene?
The canonical SMILES for hept-3-ene is CCC=CCCC.
What is the InChIKey of hept-3-ene?
The InChIKey is WZHKDGJSXCTSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of hept-3-ene?
hept-3-ene has a molecular weight of 98.19 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-3-ene is sourced from PubChem (CID 11612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).