1,12-dichlorododec-2-ene

C12H22Cl2 — CID 171472140

IUPAC1,12-dichlorododec-2-ene
SMILESClCC=CCCCCCCCCCCl
InChIInChI=1S/C12H22Cl2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9H,1-6,8,10-12H2
InChIKeySNRQUTBRBXBWGX-UHFFFAOYSA-N
MW237.21 g/mol
LogP5.14
Rot. Bonds10

About 1,12-dichlorododec-2-ene

1,12-dichlorododec-2-ene (PubChem CID 171472140) has the molecular formula C12H22Cl2 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1,12-dichlorododec-2-ene.

Molecular Properties

Compound Name1,12-dichlorododec-2-ene
PubChem CID171472140
Molecular FormulaC12H22Cl2
Molecular Weight237.21 g/mol
Exact Mass236.11
IUPAC Name1,12-dichlorododec-2-ene
SMILESClCC=CCCCCCCCCCCl
InChIInChI=1S/C12H22Cl2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9H,1-6,8,10-12H2
InChIKeySNRQUTBRBXBWGX-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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': '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

1,17-dichloroheptadec-8-ene
CID 168864753
(E)-1,10-dichlorodec-5-ene
CID 12889943
(E)-1-chloroheptadec-7-ene
CID 5364485
(Z)-16-chlorohexadec-3-en-1-ol
CID 163204745
1-chloro-12-iodododec-2-ene
CID 171472192
(Z)-10-chlorodec-4-ene
CID 14373086
(Z)-13-chlorotridec-3-en-1-ol
CID 163204990
1-chlorotritriacont-2-ene
CID 173457844
1-chlorooctadec-9-ene
CID 558046
1-bromo-12-chlorododeca-2,10-diene
CID 74322485
16-chlorohexadeca-1,6-diene
CID 71382129
1-chlorodec-5-ene
CID 3085570

Frequently Asked Questions

What is the IUPAC name of 1,12-dichlorododec-2-ene?
The IUPAC name of 1,12-dichlorododec-2-ene (CID 171472140) is 1,12-dichlorododec-2-ene.
What is the SMILES notation for 1,12-dichlorododec-2-ene?
The canonical SMILES for 1,12-dichlorododec-2-ene is ClCC=CCCCCCCCCCCl.
What is the InChIKey of 1,12-dichlorododec-2-ene?
The InChIKey is SNRQUTBRBXBWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9H,1-6,8,10-12H2.
What are the key properties of 1,12-dichlorododec-2-ene?
1,12-dichlorododec-2-ene has a molecular weight of 237.21 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-dichlorododec-2-ene is sourced from PubChem (CID 171472140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).