[(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate

C9H13ClO2 — CID 129083977

IUPAC[(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate
SMILESC=CCC(/C=C\C)COC(=O)Cl
InChIInChI=1S/C9H13ClO2/c1-3-5-8(6-4-2)7-12-9(10)11/h3-4,6,8H,1,5,7H2,2H3/b6-4-
InChIKeyHJQYUXJLZVWBDQ-XQRVVYSFSA-N
MW188.65 g/mol
LogP3.13
Rot. Bonds5

About [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate

[(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate (PubChem CID 129083977) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate.

Molecular Properties

Compound Name[(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate
PubChem CID129083977
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name[(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate
SMILESC=CCC(/C=C\C)COC(=O)Cl
InChIInChI=1S/C9H13ClO2/c1-3-5-8(6-4-2)7-12-9(10)11/h3-4,6,8H,1,5,7H2,2H3/b6-4-
InChIKeyHJQYUXJLZVWBDQ-XQRVVYSFSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid
CID 145135055
2-[[(E)-but-2-enoyl]oxymethyl]but-3-enyl (E)-but-2-enoate
CID 59047487
formic acid;2-methylpropyl carbonochloridate
CID 160930750
hepta-1,5-dien-4-yl 2-methylprop-2-enoate
CID 54100239
2-methylpropoxycarbonyl formate;2-methylpropyl carbonochloridate
CID 90931875
acetic acid;2-methylpropyl carbonochloridate
CID 90713933
methyl (2E)-4-ethylhepta-2,6-dienoate
CID 12681348
ethyl 4-(2-fluoroethyl)hepta-2,6-dienoate
CID 91133154
methyl 2-aminopent-4-enoate
CID 10877146
bis(but-3-enyl) 2-methylpropanedioate
CID 90481204
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
(1Z,4Z)-2-amino-3-prop-2-enylhexa-1,4-diene-1-thiol
CID 88578836

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate?
The IUPAC name of [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate (CID 129083977) is [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate.
What is the SMILES notation for [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate?
The canonical SMILES for [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate is C=CCC(/C=C\C)COC(=O)Cl.
What is the InChIKey of [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate?
The InChIKey is HJQYUXJLZVWBDQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-3-5-8(6-4-2)7-12-9(10)11/h3-4,6,8H,1,5,7H2,2H3/b6-4-.
What are the key properties of [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate?
[(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate has a molecular weight of 188.65 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate is sourced from PubChem (CID 129083977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).