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

C18H30O3 — CID 88662195

IUPAC(2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCCOC(C)OCC1/C=C\C(C(C)C)CCC(=O)/C=C\C1
InChIInChI=1S/C18H30O3/c1-5-20-15(4)21-13-16-7-6-8-18(19)12-11-17(10-9-16)14(2)3/h6,8-10,14-17H,5,7,11-13H2,1-4H3/b8-6-,10-9-
InChIKeyPYZZMTWILYQETP-VAOAJWRNSA-N
MW294.44 g/mol
LogP4.14
Rot. Bonds6

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

(2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one (PubChem CID 88662195) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one.

Molecular Properties

Compound Name(2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
PubChem CID88662195
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCCOC(C)OCC1/C=C\C(C(C)C)CCC(=O)/C=C\C1
InChIInChI=1S/C18H30O3/c1-5-20-15(4)21-13-16-7-6-8-18(19)12-11-17(10-9-16)14(2)3/h6,8-10,14-17H,5,7,11-13H2,1-4H3/b8-6-,10-9-
InChIKeyPYZZMTWILYQETP-VAOAJWRNSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.14
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'}

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Related Compounds

(5R,6S)-5-(1-ethoxyethoxymethyl)-6-[(E)-3-methylbut-1-enyl]cyclohex-2-en-1-one
CID 154720694
(2Z,5R,6E,8S)-5-(1-ethoxyethoxymethyl)-10-hydroxy-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 154720809
(2Z,6Z)-5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 20164359
(2Z,6Z)-5-(oxan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 20164363
(2Z,6Z)-5-(1-ethoxyethoxy)-2-methyl-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 20164370
5-(Oxan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 57072361
5-(2-Ethoxypropan-2-yloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 57216738
5-(1-Ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 57218912
5-[(2-Methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 57227825
1,1-Diethoxyethane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 69770728
5-(1-Ethoxyethoxy)-2-methyl-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 70435219
4-(Diethoxymethyl)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
CID 71321453

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The IUPAC name of (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one (CID 88662195) is (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one.
What is the SMILES notation for (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The canonical SMILES for (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one is CCOC(C)OCC1/C=C\C(C(C)C)CCC(=O)/C=C\C1.
What is the InChIKey of (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The InChIKey is PYZZMTWILYQETP-VAOAJWRNSA-N. The full InChI is InChI=1S/C18H30O3/c1-5-20-15(4)21-13-16-7-6-8-18(19)12-11-17(10-9-16)14(2)3/h6,8-10,14-17H,5,7,11-13H2,1-4H3/b8-6-,10-9-.
What are the key properties of (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
(2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one has a molecular weight of 294.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-5-(1-ethoxyethoxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one is sourced from PubChem (CID 88662195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).