[(E)-hex-3-enyl] carbonochloridate

C7H11ClO2 — CID 13308511

IUPAC[(E)-hex-3-enyl] carbonochloridate
SMILESCC/C=C/CCOC(=O)Cl
InChIInChI=1S/C7H11ClO2/c1-2-3-4-5-6-10-7(8)9/h3-4H,2,5-6H2,1H3/b4-3+
InChIKeyRXRRUZYOMGDHLZ-ONEGZZNKSA-N
MW162.62 g/mol
LogP2.72
Rot. Bonds4

About [(E)-hex-3-enyl] carbonochloridate

[(E)-hex-3-enyl] carbonochloridate (PubChem CID 13308511) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is [(E)-hex-3-enyl] carbonochloridate.

Molecular Properties

Compound Name[(E)-hex-3-enyl] carbonochloridate
PubChem CID13308511
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name[(E)-hex-3-enyl] carbonochloridate
SMILESCC/C=C/CCOC(=O)Cl
InChIInChI=1S/C7H11ClO2/c1-2-3-4-5-6-10-7(8)9/h3-4H,2,5-6H2,1H3/b4-3+
InChIKeyRXRRUZYOMGDHLZ-ONEGZZNKSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(hex-3-enyl) propanedioate
CID 54313444
[(E)-hex-3-enyl] 2-chloropropanoate
CID 5463678
[(Z)-hex-3-enyl] 2-oxopropanoate
CID 5363291
acetic acid;[(Z)-hex-3-enyl] acetate
CID 87304527
hex-3-enyl 2,2-dimethylpropanoate
CID 3019988
[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate
CID 15461361
[(E)-hex-3-enyl] 3-oxobutanoate
CID 6365957
1-O-ethyl 4-O-[(E)-hex-3-enyl] butanedioate
CID 91697922
(E)-4-[(Z)-hex-3-enoxy]-4-oxobut-2-enoic acid
CID 87622637
[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
CID 150495020
nona-3,6-dienyl butanoate
CID 175586179
[(3E,6Z)-nona-3,6-dienyl] (Z)-2-methylbut-2-enoate
CID 91692546

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-3-enyl] carbonochloridate?
The IUPAC name of [(E)-hex-3-enyl] carbonochloridate (CID 13308511) is [(E)-hex-3-enyl] carbonochloridate.
What is the SMILES notation for [(E)-hex-3-enyl] carbonochloridate?
The canonical SMILES for [(E)-hex-3-enyl] carbonochloridate is CC/C=C/CCOC(=O)Cl.
What is the InChIKey of [(E)-hex-3-enyl] carbonochloridate?
The InChIKey is RXRRUZYOMGDHLZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-2-3-4-5-6-10-7(8)9/h3-4H,2,5-6H2,1H3/b4-3+.
What are the key properties of [(E)-hex-3-enyl] carbonochloridate?
[(E)-hex-3-enyl] carbonochloridate has a molecular weight of 162.62 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-3-enyl] carbonochloridate is sourced from PubChem (CID 13308511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).