3-ethylhept-1-ene

C9H18 — CID 12923943

IUPAC3-ethylhept-1-ene
SMILESC=CC(CC)CCCC
InChIInChI=1S/C9H18/c1-4-7-8-9(5-2)6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyQDQMRZAKJQTTEF-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds5

About 3-ethylhept-1-ene

3-ethylhept-1-ene (PubChem CID 12923943) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 3-ethylhept-1-ene.

Molecular Properties

Compound Name3-ethylhept-1-ene
PubChem CID12923943
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name3-ethylhept-1-ene
SMILESC=CC(CC)CCCC
InChIInChI=1S/C9H18/c1-4-7-8-9(5-2)6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyQDQMRZAKJQTTEF-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
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

(3R)-3-ethyloct-1-ene
CID 50898077
3-ethyltetradeca-1,7-diene
CID 173182513
2-ethenylhexane-1-thiol
CID 89278235
10-ethenylnonadecane
CID 57244946
ethane;9-ethenylheptadecane;octane
CID 168985515
6-ethenyldecanal
CID 18790893
3-ethylnon-1-en-5-yloxysilane
CID 173139684
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
3-ethylnon-1-en-8-yne
CID 123457209
1,1-dibromo-3-ethylhept-1-ene
CID 86711721
2-ethylhexanal;phosphane
CID 174518467
2-ethylhexanal;methane
CID 139299505

Frequently Asked Questions

What is the IUPAC name of 3-ethylhept-1-ene?
The IUPAC name of 3-ethylhept-1-ene (CID 12923943) is 3-ethylhept-1-ene.
What is the SMILES notation for 3-ethylhept-1-ene?
The canonical SMILES for 3-ethylhept-1-ene is C=CC(CC)CCCC.
What is the InChIKey of 3-ethylhept-1-ene?
The InChIKey is QDQMRZAKJQTTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-7-8-9(5-2)6-3/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of 3-ethylhept-1-ene?
3-ethylhept-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhept-1-ene is sourced from PubChem (CID 12923943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).