1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene

C22H38O — CID 3016853

IUPAC1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene
SMILESCCOC(C)(C)CCCC(C)CCCc1ccc(C(C)C)cc1
InChIInChI=1S/C22H38O/c1-7-23-22(5,6)17-9-11-19(4)10-8-12-20-13-15-21(16-14-20)18(2)3/h13-16,18-19H,7-12,17H2,1-6H3
InChIKeyIXAPJMBEOUOLIZ-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.75
Rot. Bonds11

About 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene

1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene (PubChem CID 3016853) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene
PubChem CID3016853
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene
SMILESCCOC(C)(C)CCCC(C)CCCc1ccc(C(C)C)cc1
InChIInChI=1S/C22H38O/c1-7-23-22(5,6)17-9-11-19(4)10-8-12-20-13-15-21(16-14-20)18(2)3/h13-16,18-19H,7-12,17H2,1-6H3
InChIKeyIXAPJMBEOUOLIZ-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene (CID 3016853) is 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene is CCOC(C)(C)CCCC(C)CCCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene?
The InChIKey is IXAPJMBEOUOLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-7-23-22(5,6)17-9-11-19(4)10-8-12-20-13-15-21(16-14-20)18(2)3/h13-16,18-19H,7-12,17H2,1-6H3.
What are the key properties of 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene?
1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene has a molecular weight of 318.55 g/mol, XLogP of 6.75, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethoxy-4,8-dimethylnonyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 3016853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).