5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one

C9H13ClO2 — CID 13416553

IUPAC5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one
SMILESC/C=C(\Cl)C1CC(C)(C)C(=O)O1
InChIInChI=1S/C9H13ClO2/c1-4-6(10)7-5-9(2,3)8(11)12-7/h4,7H,5H2,1-3H3/b6-4-
InChIKeyZVPZEPFTEPVKBH-XQRVVYSFSA-N
MW188.65 g/mol
LogP2.47
Rot. Bonds1

About 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one

5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one (PubChem CID 13416553) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one.

Molecular Properties

Compound Name5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one
PubChem CID13416553
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one
SMILESC/C=C(\Cl)C1CC(C)(C)C(=O)O1
InChIInChI=1S/C9H13ClO2/c1-4-6(10)7-5-9(2,3)8(11)12-7/h4,7H,5H2,1-3H3/b6-4-
InChIKeyZVPZEPFTEPVKBH-XQRVVYSFSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-3,3-dimethyl-5-(2-methylprop-1-enyl)oxolan-2-one
CID 122378137
(3S,5S)-3-chloro-5-[(E)-pent-1-enyl]oxolan-2-one
CID 131247555
5-(2,3-Dichlorobut-1-enyl)-4,4-dimethyloxolan-2-one
CID 53803249
3,3-dimethyl-5-[(E)-prop-1-enyl]oxolan-2-one
CID 142514579
5-[(E)-1,2-dichlorobut-1-enyl]-4,4-dimethyloxolan-2-one
CID 145802210
3,3-Dimethyl-5-pent-1-enyloxolan-2-one
CID 174587916
5-(1-Chloro-2-methylprop-1-enyl)oxolan-2-one
CID 13416543
5-(1-Chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one
CID 13416544
5-(1-Chloro-2-methylprop-1-enyl)-3-ethyloxolan-2-one
CID 13416545
5-(1-Chloro-2-methylprop-1-enyl)-3,3-dimethyloxolan-2-one
CID 13416547
5-(1-Chloro-2-methylprop-1-enyl)-3-ethyl-3-methyloxolan-2-one
CID 13416548
5-(1-Chloro-2-methylprop-1-enyl)-3,3-diethyloxolan-2-one
CID 13416549

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one?
The IUPAC name of 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one (CID 13416553) is 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one.
What is the SMILES notation for 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one?
The canonical SMILES for 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one is C/C=C(\Cl)C1CC(C)(C)C(=O)O1.
What is the InChIKey of 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one?
The InChIKey is ZVPZEPFTEPVKBH-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-4-6(10)7-5-9(2,3)8(11)12-7/h4,7H,5H2,1-3H3/b6-4-.
What are the key properties of 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one?
5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one has a molecular weight of 188.65 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one is sourced from PubChem (CID 13416553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).