hept-1-ene

C7H14 — CID 11610

IUPAChept-1-ene
SMILESC=CCCCCC
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
InChIKeyZGEGCLOFRBLKSE-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.75
Rot. Bonds4

About hept-1-ene

hept-1-ene (PubChem CID 11610) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is hept-1-ene.

Molecular Properties

Compound Namehept-1-ene
PubChem CID11610
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Namehept-1-ene
SMILESC=CCCCCC
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
InChIKeyZGEGCLOFRBLKSE-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Pentene
CID 8004
1-Hexene
CID 11597
1-Octene
CID 8125
1-Butene
CID 7844
1,5-Hexadiene
CID 11598
1,7-Octadiene
CID 19460
1,6-Heptadiene
CID 16968
2-Methyl-1,5-hexadiene
CID 19965
Butylallene
CID 75426
6-Methyl-1,6-heptadiene
CID 534918
(Z)-1-iodo-1-heptene
CID 10966141
(1E)-1-Iodohept-1-ene
CID 11096220

Frequently Asked Questions

What is the IUPAC name of hept-1-ene?
The IUPAC name of hept-1-ene (CID 11610) is hept-1-ene.
What is the SMILES notation for hept-1-ene?
The canonical SMILES for hept-1-ene is C=CCCCCC.
What is the InChIKey of hept-1-ene?
The InChIKey is ZGEGCLOFRBLKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3.
What are the key properties of hept-1-ene?
hept-1-ene has a molecular weight of 98.19 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-ene is sourced from PubChem (CID 11610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).