9-propyldodec-1-ene

C15H30 — CID 174048054

IUPAC9-propyldodec-1-ene
SMILESC=CCCCCCCC(CCC)CCC
InChIInChI=1S/C15H30/c1-4-7-8-9-10-11-14-15(12-5-2)13-6-3/h4,15H,1,5-14H2,2-3H3
InChIKeyIUGJLBSVBLOKTM-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.73
Rot. Bonds11

About 9-propyldodec-1-ene

9-propyldodec-1-ene (PubChem CID 174048054) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 9-propyldodec-1-ene.

Molecular Properties

Compound Name9-propyldodec-1-ene
PubChem CID174048054
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name9-propyldodec-1-ene
SMILESC=CCCCCCCC(CCC)CCC
InChIInChI=1S/C15H30/c1-4-7-8-9-10-11-14-15(12-5-2)13-6-3/h4,15H,1,5-14H2,2-3H3
InChIKeyIUGJLBSVBLOKTM-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.73
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

7-propylundec-1-ene
CID 174048285
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
2-propyldec-9-en-1-amine
CID 87482159
6-propyldec-1-ene
CID 22251175
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
8-ethylpentadec-1-ene
CID 91081893
10-ethyldocos-1-ene
CID 91804827
9-ethylhexadec-1-ene
CID 163949602

Frequently Asked Questions

What is the IUPAC name of 9-propyldodec-1-ene?
The IUPAC name of 9-propyldodec-1-ene (CID 174048054) is 9-propyldodec-1-ene.
What is the SMILES notation for 9-propyldodec-1-ene?
The canonical SMILES for 9-propyldodec-1-ene is C=CCCCCCCC(CCC)CCC.
What is the InChIKey of 9-propyldodec-1-ene?
The InChIKey is IUGJLBSVBLOKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-4-7-8-9-10-11-14-15(12-5-2)13-6-3/h4,15H,1,5-14H2,2-3H3.
What are the key properties of 9-propyldodec-1-ene?
9-propyldodec-1-ene has a molecular weight of 210.40 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyldodec-1-ene is sourced from PubChem (CID 174048054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).