9-ethylhexadec-1-ene

C18H36 — CID 163949602

IUPAC9-ethylhexadec-1-ene
SMILESC=CCCCCCCC(CC)CCCCCCC
InChIInChI=1S/C18H36/c1-4-7-9-11-13-15-17-18(6-3)16-14-12-10-8-5-2/h4,18H,1,5-17H2,2-3H3
InChIKeyRYDYMMRDVITQQA-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.90
Rot. Bonds14

About 9-ethylhexadec-1-ene

9-ethylhexadec-1-ene (PubChem CID 163949602) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 9-ethylhexadec-1-ene.

Molecular Properties

Compound Name9-ethylhexadec-1-ene
PubChem CID163949602
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name9-ethylhexadec-1-ene
SMILESC=CCCCCCCC(CC)CCCCCCC
InChIInChI=1S/C18H36/c1-4-7-9-11-13-15-17-18(6-3)16-14-12-10-8-5-2/h4,18H,1,5-17H2,2-3H3
InChIKeyRYDYMMRDVITQQA-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.90
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

10-ethyldocos-1-ene
CID 91804827
8-ethylpentadec-1-ene
CID 91081893
6-ethyltridec-1-ene
CID 174048481
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
9-butyltetracosane;icosane;oct-1-ene
CID 159857155
7-butylundec-1-ene
CID 174048295
16-ethyldocos-10-ene
CID 91389222
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168

Frequently Asked Questions

What is the IUPAC name of 9-ethylhexadec-1-ene?
The IUPAC name of 9-ethylhexadec-1-ene (CID 163949602) is 9-ethylhexadec-1-ene.
What is the SMILES notation for 9-ethylhexadec-1-ene?
The canonical SMILES for 9-ethylhexadec-1-ene is C=CCCCCCCC(CC)CCCCCCC.
What is the InChIKey of 9-ethylhexadec-1-ene?
The InChIKey is RYDYMMRDVITQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-7-9-11-13-15-17-18(6-3)16-14-12-10-8-5-2/h4,18H,1,5-17H2,2-3H3.
What are the key properties of 9-ethylhexadec-1-ene?
9-ethylhexadec-1-ene has a molecular weight of 252.49 g/mol, XLogP of 6.90, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylhexadec-1-ene is sourced from PubChem (CID 163949602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).