(1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate

C19H32O3 — CID 89058651

IUPAC(1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate
SMILESC=CCC(C)/C(C)=C\COCC(=O)OC1(CC)CCCCC1
InChIInChI=1S/C19H32O3/c1-5-10-16(3)17(4)11-14-21-15-18(20)22-19(6-2)12-8-7-9-13-19/h5,11,16H,1,6-10,12-15H2,2-4H3/b17-11-
InChIKeyFRWOFAAFDPKJPZ-BOPFTXTBSA-N
MW308.46 g/mol
LogP4.82
Rot. Bonds9

About (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate

(1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate (PubChem CID 89058651) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate
PubChem CID89058651
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate
SMILESC=CCC(C)/C(C)=C\COCC(=O)OC1(CC)CCCCC1
InChIInChI=1S/C19H32O3/c1-5-10-16(3)17(4)11-14-21-15-18(20)22-19(6-2)12-8-7-9-13-19/h5,11,16H,1,6-10,12-15H2,2-4H3/b17-11-
InChIKeyFRWOFAAFDPKJPZ-BOPFTXTBSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate?
The IUPAC name of (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate (CID 89058651) is (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate.
What is the SMILES notation for (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate?
The canonical SMILES for (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate is C=CCC(C)/C(C)=C\COCC(=O)OC1(CC)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate?
The InChIKey is FRWOFAAFDPKJPZ-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H32O3/c1-5-10-16(3)17(4)11-14-21-15-18(20)22-19(6-2)12-8-7-9-13-19/h5,11,16H,1,6-10,12-15H2,2-4H3/b17-11-.
What are the key properties of (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate?
(1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate has a molecular weight of 308.46 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate is sourced from PubChem (CID 89058651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).