hept-2-ene

C7H14 — CID 11611

IUPAChept-2-ene
SMILESCC=CCCCC
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3
InChIKeyOTTZHAVKAVGASB-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.75
Rot. Bonds3

About hept-2-ene

hept-2-ene (PubChem CID 11611) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is hept-2-ene.

Molecular Properties

Compound Namehept-2-ene
PubChem CID11611
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Namehept-2-ene
SMILESCC=CCCCC
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3
InChIKeyOTTZHAVKAVGASB-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hept-2-ene?
The IUPAC name of hept-2-ene (CID 11611) is hept-2-ene.
What is the SMILES notation for hept-2-ene?
The canonical SMILES for hept-2-ene is CC=CCCCC.
What is the InChIKey of hept-2-ene?
The InChIKey is OTTZHAVKAVGASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3.
What are the key properties of hept-2-ene?
hept-2-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-2-ene is sourced from PubChem (CID 11611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).