1-chloro-5-propyloct-4-ene

C11H21Cl — CID 86162986

IUPAC1-chloro-5-propyloct-4-ene
SMILESCCCC(=CCCCCl)CCC
InChIInChI=1S/C11H21Cl/c1-3-7-11(8-4-2)9-5-6-10-12/h9H,3-8,10H2,1-2H3
InChIKeyKWJPOPMMBFUEMR-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.53
Rot. Bonds7

About 1-chloro-5-propyloct-4-ene

1-chloro-5-propyloct-4-ene (PubChem CID 86162986) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-chloro-5-propyloct-4-ene.

Molecular Properties

Compound Name1-chloro-5-propyloct-4-ene
PubChem CID86162986
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-chloro-5-propyloct-4-ene
SMILESCCCC(=CCCCCl)CCC
InChIInChI=1S/C11H21Cl/c1-3-7-11(8-4-2)9-5-6-10-12/h9H,3-8,10H2,1-2H3
InChIKeyKWJPOPMMBFUEMR-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.53
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

Geranyl chloride
CID 6372219
(E,E)-Farnesyl chloride
CID 6003397
3-Nonene, 9-chloro-, (3Z)-
CID 12795776
3-Dodecene, 12-chloro-, (3E)-
CID 20561605
12-Chlorododec-3-ene
CID 54202562
3-Dodecene, 12-chloro-, (3Z)-
CID 88512409
(2E,6Z)-1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 13992506
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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-propyloct-4-ene?
The IUPAC name of 1-chloro-5-propyloct-4-ene (CID 86162986) is 1-chloro-5-propyloct-4-ene.
What is the SMILES notation for 1-chloro-5-propyloct-4-ene?
The canonical SMILES for 1-chloro-5-propyloct-4-ene is CCCC(=CCCCCl)CCC.
What is the InChIKey of 1-chloro-5-propyloct-4-ene?
The InChIKey is KWJPOPMMBFUEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-3-7-11(8-4-2)9-5-6-10-12/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-chloro-5-propyloct-4-ene?
1-chloro-5-propyloct-4-ene has a molecular weight of 188.74 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-propyloct-4-ene is sourced from PubChem (CID 86162986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).