12-chlorododec-2-ene

C12H23Cl — CID 56977389

IUPAC12-chlorododec-2-ene
SMILESCC=CCCCCCCCCCCl
InChIInChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3H,4-12H2,1H3
InChIKeyQBNBCODHGYNMFV-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.92
Rot. Bonds9

About 12-chlorododec-2-ene

12-chlorododec-2-ene (PubChem CID 56977389) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is 12-chlorododec-2-ene.

Molecular Properties

Compound Name12-chlorododec-2-ene
PubChem CID56977389
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name12-chlorododec-2-ene
SMILESCC=CCCCCCCCCCCl
InChIInChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3H,4-12H2,1H3
InChIKeyQBNBCODHGYNMFV-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.92
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

10-chlorodec-2-ene
CID 54299561
11-chloroundeca-2,4-diene
CID 168861619
1,17-dichloroheptadec-8-ene
CID 168864753
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(E)-1,10-dichlorodec-5-ene
CID 12889943
(E)-1-chloroheptadec-7-ene
CID 5364485
(Z)-10-chlorodec-4-ene
CID 14373086
1-chlorooctadec-9-ene
CID 558046
(Z)-icos-2-ene
CID 5352524
1,12-dichlorododec-2-ene
CID 171472140

Frequently Asked Questions

What is the IUPAC name of 12-chlorododec-2-ene?
The IUPAC name of 12-chlorododec-2-ene (CID 56977389) is 12-chlorododec-2-ene.
What is the SMILES notation for 12-chlorododec-2-ene?
The canonical SMILES for 12-chlorododec-2-ene is CC=CCCCCCCCCCCl.
What is the InChIKey of 12-chlorododec-2-ene?
The InChIKey is QBNBCODHGYNMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3H,4-12H2,1H3.
What are the key properties of 12-chlorododec-2-ene?
12-chlorododec-2-ene has a molecular weight of 202.77 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chlorododec-2-ene is sourced from PubChem (CID 56977389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).