(2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one

C19H32O3 — CID 88661495

IUPAC(2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCCOC(C)(C)OCC1/C=C\C(C(C)C)CCC(=O)/C=C\C1
InChIInChI=1S/C19H32O3/c1-6-21-19(4,5)22-14-16-8-7-9-18(20)13-12-17(11-10-16)15(2)3/h7,9-11,15-17H,6,8,12-14H2,1-5H3/b9-7-,11-10-
InChIKeyCYAYHVALZIXABO-MNAJIYKBSA-N
MW308.46 g/mol
LogP4.53
Rot. Bonds6

About (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one

(2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one (PubChem CID 88661495) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one.

Molecular Properties

Compound Name(2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
PubChem CID88661495
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCCOC(C)(C)OCC1/C=C\C(C(C)C)CCC(=O)/C=C\C1
InChIInChI=1S/C19H32O3/c1-6-21-19(4,5)22-14-16-8-7-9-18(20)13-12-17(11-10-16)15(2)3/h7,9-11,15-17H,6,8,12-14H2,1-5H3/b9-7-,11-10-
InChIKeyCYAYHVALZIXABO-MNAJIYKBSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The IUPAC name of (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one (CID 88661495) is (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one.
What is the SMILES notation for (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The canonical SMILES for (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one is CCOC(C)(C)OCC1/C=C\C(C(C)C)CCC(=O)/C=C\C1.
What is the InChIKey of (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The InChIKey is CYAYHVALZIXABO-MNAJIYKBSA-N. The full InChI is InChI=1S/C19H32O3/c1-6-21-19(4,5)22-14-16-8-7-9-18(20)13-12-17(11-10-16)15(2)3/h7,9-11,15-17H,6,8,12-14H2,1-5H3/b9-7-,11-10-.
What are the key properties of (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
(2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one has a molecular weight of 308.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-5-(2-ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one is sourced from PubChem (CID 88661495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).