5-(3-chloropropylidene)nonane

C12H23Cl — CID 10035768

IUPAC5-(3-chloropropylidene)nonane
SMILESCCCCC(=CCCCl)CCCC
InChIInChI=1S/C12H23Cl/c1-3-5-8-12(9-6-4-2)10-7-11-13/h10H,3-9,11H2,1-2H3
InChIKeyKAROHGDUFCYAJJ-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.92
Rot. Bonds8

About 5-(3-chloropropylidene)nonane

5-(3-chloropropylidene)nonane (PubChem CID 10035768) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is 5-(3-chloropropylidene)nonane.

Molecular Properties

Compound Name5-(3-chloropropylidene)nonane
PubChem CID10035768
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name5-(3-chloropropylidene)nonane
SMILESCCCCC(=CCCCl)CCCC
InChIInChI=1S/C12H23Cl/c1-3-5-8-12(9-6-4-2)10-7-11-13/h10H,3-9,11H2,1-2H3
InChIKeyKAROHGDUFCYAJJ-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Geranyl chloride
CID 6372219
(E,E)-Farnesyl chloride
CID 6003397
3-Dodecene, 12-chloro-, (3E)-
CID 20561605
12-Chlorododec-3-ene
CID 54202562
3-Dodecene, 12-chloro-, (3Z)-
CID 88512409
5-Dodecene, 12-chloro-, (5Z)-
CID 6450294
Neryl chloride
CID 5874259
(3S,5S,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630816
(3S,5R,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630817
1-Chloro-3,7-dimethyl-octa-2,6-diene
CID 99106
(E)-1-chloronon-2-ene
CID 11182776
(z)-9-Tetradecenyl chloride
CID 13034419

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropylidene)nonane?
The IUPAC name of 5-(3-chloropropylidene)nonane (CID 10035768) is 5-(3-chloropropylidene)nonane.
What is the SMILES notation for 5-(3-chloropropylidene)nonane?
The canonical SMILES for 5-(3-chloropropylidene)nonane is CCCCC(=CCCCl)CCCC.
What is the InChIKey of 5-(3-chloropropylidene)nonane?
The InChIKey is KAROHGDUFCYAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-3-5-8-12(9-6-4-2)10-7-11-13/h10H,3-9,11H2,1-2H3.
What are the key properties of 5-(3-chloropropylidene)nonane?
5-(3-chloropropylidene)nonane has a molecular weight of 202.77 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropylidene)nonane is sourced from PubChem (CID 10035768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).