8-(1,1-dichloroethyl)hexadec-6-ene

C18H34Cl2 — CID 150712657

IUPAC8-(1,1-dichloroethyl)hexadec-6-ene
SMILESCCCCCC=CC(CCCCCCCC)C(C)(Cl)Cl
InChIInChI=1S/C18H34Cl2/c1-4-6-8-10-12-14-16-17(18(3,19)20)15-13-11-9-7-5-2/h13,15,17H,4-12,14,16H2,1-3H3
InChIKeyJOFKNWNOPWGMBB-UHFFFAOYSA-N
MW321.38 g/mol
LogP7.68
Rot. Bonds13

About 8-(1,1-dichloroethyl)hexadec-6-ene

8-(1,1-dichloroethyl)hexadec-6-ene (PubChem CID 150712657) has the molecular formula C18H34Cl2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 8-(1,1-dichloroethyl)hexadec-6-ene.

Molecular Properties

Compound Name8-(1,1-dichloroethyl)hexadec-6-ene
PubChem CID150712657
Molecular FormulaC18H34Cl2
Molecular Weight321.38 g/mol
Exact Mass320.20
IUPAC Name8-(1,1-dichloroethyl)hexadec-6-ene
SMILESCCCCCC=CC(CCCCCCCC)C(C)(Cl)Cl
InChIInChI=1S/C18H34Cl2/c1-4-6-8-10-12-14-16-17(18(3,19)20)15-13-11-9-7-5-2/h13,15,17H,4-12,14,16H2,1-3H3
InChIKeyJOFKNWNOPWGMBB-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 57.68
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

9,10-dioctyloctadeca-7,11-diene
CID 173120989
4,4,5-tripropylpentadec-6-ene
CID 173312730
7-[tri(propan-2-yloxy)methyl]pentadec-5-ene
CID 150643499
(E)-10-methylheptadec-8-ene
CID 10923034
(E)-6-butylhexacos-7-ene
CID 173194372
(E,11S)-11-methyltricos-9-ene
CID 163215390
henicos-7-en-6-ol
CID 91409967
2-chlorodec-3-ene
CID 71337420
1,1,1-trichlorooctacos-11-ene
CID 151485683
azane;(9Z,29Z)-19-tert-butyloctatriaconta-9,29-diene
CID 175292627
2,11-dimethylhexadec-3-ene
CID 123962533
7-methylhexadec-5-ene
CID 150059561

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-dichloroethyl)hexadec-6-ene?
The IUPAC name of 8-(1,1-dichloroethyl)hexadec-6-ene (CID 150712657) is 8-(1,1-dichloroethyl)hexadec-6-ene.
What is the SMILES notation for 8-(1,1-dichloroethyl)hexadec-6-ene?
The canonical SMILES for 8-(1,1-dichloroethyl)hexadec-6-ene is CCCCCC=CC(CCCCCCCC)C(C)(Cl)Cl.
What is the InChIKey of 8-(1,1-dichloroethyl)hexadec-6-ene?
The InChIKey is JOFKNWNOPWGMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34Cl2/c1-4-6-8-10-12-14-16-17(18(3,19)20)15-13-11-9-7-5-2/h13,15,17H,4-12,14,16H2,1-3H3.
What are the key properties of 8-(1,1-dichloroethyl)hexadec-6-ene?
8-(1,1-dichloroethyl)hexadec-6-ene has a molecular weight of 321.38 g/mol, XLogP of 7.68, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-dichloroethyl)hexadec-6-ene is sourced from PubChem (CID 150712657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).