4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate

C19H34O4 — CID 91697895

IUPAC4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate
SMILESCC/C=C\CCOC(=O)CCC(=O)OCCCCCCCCC
InChIInChI=1S/C19H34O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h6,8H,3-5,7,9-17H2,1-2H3/b8-6-
InChIKeyMYOGVSNQAOBUFF-VURMDHGXSA-N
MW326.48 g/mol
LogP4.96
Rot. Bonds15

About 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate

4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate (PubChem CID 91697895) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate.

Molecular Properties

Compound Name4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate
PubChem CID91697895
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate
SMILESCC/C=C\CCOC(=O)CCC(=O)OCCCCCCCCC
InChIInChI=1S/C19H34O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h6,8H,3-5,7,9-17H2,1-2H3/b8-6-
InChIKeyMYOGVSNQAOBUFF-VURMDHGXSA-N
XLogP4.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.96
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

1-O-decyl 4-O-[(E)-hex-3-enyl] butanedioate
CID 91697886
6-O-[(E)-hex-3-enyl] 1-O-tridecyl hexanedioate
CID 91697998
[(Z)-hex-3-enyl] octanoate
CID 5352267
hex-3-enyl nonanoate
CID 86233547
bis[(E)-tridec-5-enyl] butanedioate
CID 101280853
bis[(E)-tridec-6-enyl] butanedioate
CID 101280854
1-O-octyl 5-O-[(E)-tetradec-3-enyl] pentanedioate
CID 91705732
6-O-[(Z)-non-3-enyl] 1-O-nonyl hexanedioate
CID 91713684
1-O-pentyl 5-O-[(E)-tetradec-3-enyl] pentanedioate
CID 91708813
dihexadecyl oct-4-enedioate
CID 173208049
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] octadecanoate
CID 56935960
[(9E,12E)-octadeca-9,12-dienyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 91750337

Frequently Asked Questions

What is the IUPAC name of 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate?
The IUPAC name of 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate (CID 91697895) is 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate.
What is the SMILES notation for 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate?
The canonical SMILES for 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate is CC/C=C\CCOC(=O)CCC(=O)OCCCCCCCCC.
What is the InChIKey of 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate?
The InChIKey is MYOGVSNQAOBUFF-VURMDHGXSA-N. The full InChI is InChI=1S/C19H34O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h6,8H,3-5,7,9-17H2,1-2H3/b8-6-.
What are the key properties of 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate?
4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate has a molecular weight of 326.48 g/mol, XLogP of 4.96, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate is sourced from PubChem (CID 91697895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).