4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate

C16H26O4 — CID 91700836

IUPAC4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate
SMILESCC/C=C\COC(=O)CCC(=O)OCC1CCCCC1
InChIInChI=1S/C16H26O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h3,7,14H,2,4-6,8-13H2,1H3/b7-3-
InChIKeyRYJSVUVUISMZFG-CLTKARDFSA-N
MW282.38 g/mol
LogP3.40
Rot. Bonds8

About 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate

4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate (PubChem CID 91700836) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate.

Molecular Properties

Compound Name4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate
PubChem CID91700836
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate
SMILESCC/C=C\COC(=O)CCC(=O)OCC1CCCCC1
InChIInChI=1S/C16H26O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h3,7,14H,2,4-6,8-13H2,1H3/b7-3-
InChIKeyRYJSVUVUISMZFG-CLTKARDFSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 2-ethylhexyl ester
CID 69474304
Succinic acid, cyclohexylmethyl but-2-en-1-yl ester
CID 91692620
Succinic acid, cyclohexylmethyl dec-4-en-1-yl ester
CID 91694413
Succinic acid, cyclohexylmethyl 3-methylbut-2-en-1-yl ester
CID 91694536
Succinic acid, cyclohexylmethyl pent-4-en-1-yl ester
CID 91694538
Succinic acid, 2-ethylhexyl 3-methylbut-2-en-1-yl ester
CID 91694819
Succinic acid, 2-ethylhexyl geranyl ester
CID 91694825
Succinic acid, cyclohexylmethyl geranyl ester
CID 91694826
Succinic acid, cyclohexylmethyl cis-hex-3-en-1-yl ester
CID 91697781
Succinic acid, 2-ethylhexyl trans-hex-3-en-1-yl ester
CID 91697889
Succinic acid, cyclohexylmethyl trans-hex-3-en-1-yl ester
CID 91697919
Succinic acid, dodec-2-en-1-yl 3-methylpentyl ester
CID 91698551

Frequently Asked Questions

What is the IUPAC name of 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The IUPAC name of 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate (CID 91700836) is 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate.
What is the SMILES notation for 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The canonical SMILES for 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate is CC/C=C\COC(=O)CCC(=O)OCC1CCCCC1.
What is the InChIKey of 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The InChIKey is RYJSVUVUISMZFG-CLTKARDFSA-N. The full InChI is InChI=1S/C16H26O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h3,7,14H,2,4-6,8-13H2,1H3/b7-3-.
What are the key properties of 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate?
4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate has a molecular weight of 282.38 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(cyclohexylmethyl) 1-O-[(Z)-pent-2-enyl] butanedioate is sourced from PubChem (CID 91700836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).