4-chloro-4-prop-2-enylhexadec-1-ene

C19H35Cl — CID 88822813

IUPAC4-chloro-4-prop-2-enylhexadec-1-ene
SMILESC=CCC(Cl)(CC=C)CCCCCCCCCCCC
InChIInChI=1S/C19H35Cl/c1-4-7-8-9-10-11-12-13-14-15-18-19(20,16-5-2)17-6-3/h5-6H,2-4,7-18H2,1H3
InChIKeyLFINMSDEVLHENQ-UHFFFAOYSA-N
MW298.94 g/mol
LogP7.43
Rot. Bonds15

About 4-chloro-4-prop-2-enylhexadec-1-ene

4-chloro-4-prop-2-enylhexadec-1-ene (PubChem CID 88822813) has the molecular formula C19H35Cl and a molecular weight of 298.94 g/mol. Its IUPAC name is 4-chloro-4-prop-2-enylhexadec-1-ene.

Molecular Properties

Compound Name4-chloro-4-prop-2-enylhexadec-1-ene
PubChem CID88822813
Molecular FormulaC19H35Cl
Molecular Weight298.94 g/mol
Exact Mass298.24
IUPAC Name4-chloro-4-prop-2-enylhexadec-1-ene
SMILESC=CCC(Cl)(CC=C)CCCCCCCCCCCC
InChIInChI=1S/C19H35Cl/c1-4-7-8-9-10-11-12-13-14-15-18-19(20,16-5-2)17-6-3/h5-6H,2-4,7-18H2,1H3
InChIKeyLFINMSDEVLHENQ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.94
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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azane;12-chloro-12-undecyltetracosane
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azane;9-chloro-9-octyloctadecane;hydron
CID 22328165
4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
CID 175561097
azane;4,4-dimethylhenicos-1-ene;hydrochloride
CID 174854097
azane;3-chloro-3-ethylheptadecane
CID 87792751
non-1-ene-4,4-diol
CID 87592774
4-methyl-4-methylselanyldec-1-ene
CID 13321274
azane;5-butyl-5-chlorodecane
CID 88839636
2,2-bis(prop-2-enyl)heptanenitrile
CID 87904800

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-prop-2-enylhexadec-1-ene?
The IUPAC name of 4-chloro-4-prop-2-enylhexadec-1-ene (CID 88822813) is 4-chloro-4-prop-2-enylhexadec-1-ene.
What is the SMILES notation for 4-chloro-4-prop-2-enylhexadec-1-ene?
The canonical SMILES for 4-chloro-4-prop-2-enylhexadec-1-ene is C=CCC(Cl)(CC=C)CCCCCCCCCCCC.
What is the InChIKey of 4-chloro-4-prop-2-enylhexadec-1-ene?
The InChIKey is LFINMSDEVLHENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35Cl/c1-4-7-8-9-10-11-12-13-14-15-18-19(20,16-5-2)17-6-3/h5-6H,2-4,7-18H2,1H3.
What are the key properties of 4-chloro-4-prop-2-enylhexadec-1-ene?
4-chloro-4-prop-2-enylhexadec-1-ene has a molecular weight of 298.94 g/mol, XLogP of 7.43, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-prop-2-enylhexadec-1-ene is sourced from PubChem (CID 88822813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).