5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate

C14H24O4 — CID 91706701

IUPAC5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate
SMILESCC/C=C\CCOC(=O)CCCC(=O)OCCC
InChIInChI=1S/C14H24O4/c1-3-5-6-7-12-18-14(16)10-8-9-13(15)17-11-4-2/h5-6H,3-4,7-12H2,1-2H3/b6-5-
InChIKeyLCPCWWPOOURMPZ-WAYWQWQTSA-N
MW256.34 g/mol
LogP3.01
Rot. Bonds10

About 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate

5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate (PubChem CID 91706701) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate.

Molecular Properties

Compound Name5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate
PubChem CID91706701
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate
SMILESCC/C=C\CCOC(=O)CCCC(=O)OCCC
InChIInChI=1S/C14H24O4/c1-3-5-6-7-12-18-14(16)10-8-9-13(15)17-11-4-2/h5-6H,3-4,7-12H2,1-2H3/b6-5-
InChIKeyLCPCWWPOOURMPZ-WAYWQWQTSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Hexenyl valerate, (3Z)-
CID 5367682
cis-3-HEXENYLVALERATE
CID 92573
(E)-Hex-3-enyl valerate
CID 5352976
Ethyl (Z)-5-octenoate
CID 12525570
Glutaric acid, 2,2,3,3-tetrafluoropropyl cis-hex-3-enyl ester
CID 91697808
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl cis-hex-3-enyl ester
CID 91697809
Glutaric acid, hex-4-en-1-yl 2,2,3,3-tetrafluoropropyl ester
CID 91697810
Glutaric acid, hex-4-en-1-yl 1,1,1-trifluoroprop-2-yl ester
CID 91697833
Glutaric acid, hex-4-en-1-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
CID 91697834
Glutaric acid, di(3-methylbut-3-enyl) ester
CID 91694432
(3-Fluoro-5-methoxy-5-oxopentyl) 4-methylpent-3-enoate
CID 154714542
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl trans-hex-3-enyl ester
CID 91697832

Frequently Asked Questions

What is the IUPAC name of 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate?
The IUPAC name of 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate (CID 91706701) is 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate.
What is the SMILES notation for 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate?
The canonical SMILES for 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate is CC/C=C\CCOC(=O)CCCC(=O)OCCC.
What is the InChIKey of 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate?
The InChIKey is LCPCWWPOOURMPZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-5-6-7-12-18-14(16)10-8-9-13(15)17-11-4-2/h5-6H,3-4,7-12H2,1-2H3/b6-5-.
What are the key properties of 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate?
5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate has a molecular weight of 256.34 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[(Z)-hex-3-enyl] 1-O-propyl pentanedioate is sourced from PubChem (CID 91706701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).