(1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene

C22H36O — CID 11099138

IUPAC(1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene
SMILESCCOC1=C(\C(C)C)CC/C(C)=C/CC/C(C)=C/CC\C(C)=C\1
InChIInChI=1S/C22H36O/c1-7-23-22-16-20(6)13-9-11-18(4)10-8-12-19(5)14-15-21(22)17(2)3/h11-12,16-17H,7-10,13-15H2,1-6H3/b18-11+,19-12+,20-16+,22-21-
InChIKeyGKVJDBSSPQHGOH-GLFBJANHSA-N
MW316.53 g/mol
LogP7.13
Rot. Bonds3

About (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene

(1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene (PubChem CID 11099138) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene
PubChem CID11099138
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name(1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene
SMILESCCOC1=C(\C(C)C)CC/C(C)=C/CC/C(C)=C/CC\C(C)=C\1
InChIInChI=1S/C22H36O/c1-7-23-22-16-20(6)13-9-11-18(4)10-8-12-19(5)14-15-21(22)17(2)3/h11-12,16-17H,7-10,13-15H2,1-6H3/b18-11+,19-12+,20-16+,22-21-
InChIKeyGKVJDBSSPQHGOH-GLFBJANHSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene?
The IUPAC name of (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene (CID 11099138) is (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene.
What is the SMILES notation for (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene?
The canonical SMILES for (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene is CCOC1=C(\C(C)C)CC/C(C)=C/CC/C(C)=C/CC\C(C)=C\1.
What is the InChIKey of (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene?
The InChIKey is GKVJDBSSPQHGOH-GLFBJANHSA-N. The full InChI is InChI=1S/C22H36O/c1-7-23-22-16-20(6)13-9-11-18(4)10-8-12-19(5)14-15-21(22)17(2)3/h11-12,16-17H,7-10,13-15H2,1-6H3/b18-11+,19-12+,20-16+,22-21-.
What are the key properties of (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene?
(1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene has a molecular weight of 316.53 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene is sourced from PubChem (CID 11099138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).