1-chloroprop-1-ene;hexa-1,5-diene

C9H15Cl — CID 174915187

IUPAC1-chloroprop-1-ene;hexa-1,5-diene
SMILESC=CCCC=C.CC=CCl
InChIInChI=1S/C6H10.C3H5Cl/c1-3-5-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2-3H,1H3
InChIKeyPLMYSXUCFIIVRL-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.90
Rot. Bonds3

About 1-chloroprop-1-ene;hexa-1,5-diene

1-chloroprop-1-ene;hexa-1,5-diene (PubChem CID 174915187) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is 1-chloroprop-1-ene;hexa-1,5-diene.

Molecular Properties

Compound Name1-chloroprop-1-ene;hexa-1,5-diene
PubChem CID174915187
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name1-chloroprop-1-ene;hexa-1,5-diene
SMILESC=CCCC=C.CC=CCl
InChIInChI=1S/C6H10.C3H5Cl/c1-3-5-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2-3H,1H3
InChIKeyPLMYSXUCFIIVRL-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;(5Z)-hepta-1,5-diene;hydrochloride
CID 143911102
1-chloroprop-1-ene;silane
CID 161250071
1-chloroprop-1-ene;sulfane
CID 20975730
(111C)pent-1-ene
CID 177423582
1-chloroprop-1-ene;chlorosilane
CID 173126130
bis(pent-1-ene);pent-2-ene
CID 158608078
ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611
(5E)-nona-1,5-diene
CID 6429608
CID 175109121
CID 175109121
(5E)-deca-1,5,9-triene
CID 5362636
ethene;octa-1,7-diene;prop-1-ene
CID 54599064
butane;ethene;pent-1-ene
CID 177174553

Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-1-ene;hexa-1,5-diene?
The IUPAC name of 1-chloroprop-1-ene;hexa-1,5-diene (CID 174915187) is 1-chloroprop-1-ene;hexa-1,5-diene.
What is the SMILES notation for 1-chloroprop-1-ene;hexa-1,5-diene?
The canonical SMILES for 1-chloroprop-1-ene;hexa-1,5-diene is C=CCCC=C.CC=CCl.
What is the InChIKey of 1-chloroprop-1-ene;hexa-1,5-diene?
The InChIKey is PLMYSXUCFIIVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C3H5Cl/c1-3-5-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2-3H,1H3.
What are the key properties of 1-chloroprop-1-ene;hexa-1,5-diene?
1-chloroprop-1-ene;hexa-1,5-diene has a molecular weight of 158.67 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-1-ene;hexa-1,5-diene is sourced from PubChem (CID 174915187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).