3-ethylideneoct-1-ene

C10H18 — CID 91511297

IUPAC3-ethylideneoct-1-ene
SMILESC=CC(=CC)CCCCC
InChIInChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5-6H,2,4,7-9H2,1,3H3
InChIKeyVPKYTMZOXFCYJA-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds5

About 3-ethylideneoct-1-ene

3-ethylideneoct-1-ene (PubChem CID 91511297) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3-ethylideneoct-1-ene.

Molecular Properties

Compound Name3-ethylideneoct-1-ene
PubChem CID91511297
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3-ethylideneoct-1-ene
SMILESC=CC(=CC)CCCCC
InChIInChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5-6H,2,4,7-9H2,1,3H3
InChIKeyVPKYTMZOXFCYJA-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
CID 158832591
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
N-(2-ethenyloct-1-enyl)acetamide
CID 71377368
(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
CID 146517614
non-1-ene-3,4-dione
CID 57016936
prop-2-enoic acid;undecan-6-one
CID 122573755
3-methylidenetridec-1-ene
CID 3776253
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512

Frequently Asked Questions

What is the IUPAC name of 3-ethylideneoct-1-ene?
The IUPAC name of 3-ethylideneoct-1-ene (CID 91511297) is 3-ethylideneoct-1-ene.
What is the SMILES notation for 3-ethylideneoct-1-ene?
The canonical SMILES for 3-ethylideneoct-1-ene is C=CC(=CC)CCCCC.
What is the InChIKey of 3-ethylideneoct-1-ene?
The InChIKey is VPKYTMZOXFCYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5-6H,2,4,7-9H2,1,3H3.
What are the key properties of 3-ethylideneoct-1-ene?
3-ethylideneoct-1-ene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylideneoct-1-ene is sourced from PubChem (CID 91511297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).