(E)-5,8-dichlorododec-6-ene

C12H22Cl2 — CID 87576727

IUPAC(E)-5,8-dichlorododec-6-ene
SMILESCCCCC(Cl)/C=C/C(Cl)CCCC
InChIInChI=1S/C12H22Cl2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-12H,3-8H2,1-2H3/b10-9+
InChIKeyHNHVGWKANWBJGQ-MDZDMXLPSA-N
MW237.21 g/mol
LogP5.14
Rot. Bonds8

About (E)-5,8-dichlorododec-6-ene

(E)-5,8-dichlorododec-6-ene (PubChem CID 87576727) has the molecular formula C12H22Cl2 and a molecular weight of 237.21 g/mol. Its IUPAC name is (E)-5,8-dichlorododec-6-ene.

Molecular Properties

Compound Name(E)-5,8-dichlorododec-6-ene
PubChem CID87576727
Molecular FormulaC12H22Cl2
Molecular Weight237.21 g/mol
Exact Mass236.11
IUPAC Name(E)-5,8-dichlorododec-6-ene
SMILESCCCCC(Cl)/C=C/C(Cl)CCCC
InChIInChI=1S/C12H22Cl2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-12H,3-8H2,1-2H3/b10-9+
InChIKeyHNHVGWKANWBJGQ-MDZDMXLPSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.21
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-chlorododec-6-ene
CID 88752571
(E)-4-chloroundec-2-ene
CID 88753287
1,1-dichloropentane;gallane
CID 174452216
3-chloronon-1-ene
CID 3021823
(Z)-4-chlorohept-2-ene
CID 88578806
chloroform;pentane
CID 19858055
3-chloro-2-methylheptane
CID 523767
15-chlorodocosa-2,13-dienoic acid
CID 173031119
(E)-8-chlorooctadec-9-enoic acid
CID 87265265
(E)-15-chlorodocos-13-enoic acid
CID 141253308
1-chloropentyl(trimethyl)silane
CID 12570721
1-chlorohexane-1,2-diamine
CID 151875829

Frequently Asked Questions

What is the IUPAC name of (E)-5,8-dichlorododec-6-ene?
The IUPAC name of (E)-5,8-dichlorododec-6-ene (CID 87576727) is (E)-5,8-dichlorododec-6-ene.
What is the SMILES notation for (E)-5,8-dichlorododec-6-ene?
The canonical SMILES for (E)-5,8-dichlorododec-6-ene is CCCCC(Cl)/C=C/C(Cl)CCCC.
What is the InChIKey of (E)-5,8-dichlorododec-6-ene?
The InChIKey is HNHVGWKANWBJGQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22Cl2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-12H,3-8H2,1-2H3/b10-9+.
What are the key properties of (E)-5,8-dichlorododec-6-ene?
(E)-5,8-dichlorododec-6-ene has a molecular weight of 237.21 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,8-dichlorododec-6-ene is sourced from PubChem (CID 87576727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).