(E)-12-chlorododec-5-ene

C12H23Cl — CID 6450294

IUPAC(E)-12-chlorododec-5-ene
SMILESCCCC/C=C/CCCCCCCl
InChIInChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6H,2-4,7-12H2,1H3/b6-5+
InChIKeyYOIAMQULUAVXOH-AATRIKPKSA-N
MW202.77 g/mol
LogP4.92
Rot. Bonds9

About (E)-12-chlorododec-5-ene

(E)-12-chlorododec-5-ene (PubChem CID 6450294) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is (E)-12-chlorododec-5-ene.

Molecular Properties

Compound Name(E)-12-chlorododec-5-ene
PubChem CID6450294
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name(E)-12-chlorododec-5-ene
SMILESCCCC/C=C/CCCCCCCl
InChIInChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6H,2-4,7-12H2,1H3/b6-5+
InChIKeyYOIAMQULUAVXOH-AATRIKPKSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-12-chlorododec-5-ene?
The IUPAC name of (E)-12-chlorododec-5-ene (CID 6450294) is (E)-12-chlorododec-5-ene.
What is the SMILES notation for (E)-12-chlorododec-5-ene?
The canonical SMILES for (E)-12-chlorododec-5-ene is CCCC/C=C/CCCCCCCl.
What is the InChIKey of (E)-12-chlorododec-5-ene?
The InChIKey is YOIAMQULUAVXOH-AATRIKPKSA-N. The full InChI is InChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6H,2-4,7-12H2,1H3/b6-5+.
What are the key properties of (E)-12-chlorododec-5-ene?
(E)-12-chlorododec-5-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 (E)-12-chlorododec-5-ene is sourced from PubChem (CID 6450294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).