3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene

C20H38O — CID 174830533

IUPAC3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene
SMILESC=CC(C)(CCCC(C)C)OC(C)(C=C)CCCC(C)C
InChIInChI=1S/C20H38O/c1-9-19(7,15-11-13-17(3)4)21-20(8,10-2)16-12-14-18(5)6/h9-10,17-18H,1-2,11-16H2,3-8H3
InChIKeyGFPBPXNNMFSKMN-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.55
Rot. Bonds12

About 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene

3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene (PubChem CID 174830533) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene.

Molecular Properties

Compound Name3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene
PubChem CID174830533
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene
SMILESC=CC(C)(CCCC(C)C)OC(C)(C=C)CCCC(C)C
InChIInChI=1S/C20H38O/c1-9-19(7,15-11-13-17(3)4)21-20(8,10-2)16-12-14-18(5)6/h9-10,17-18H,1-2,11-16H2,3-8H3
InChIKeyGFPBPXNNMFSKMN-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene 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 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene?
The IUPAC name of 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene (CID 174830533) is 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene.
What is the SMILES notation for 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene?
The canonical SMILES for 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene is C=CC(C)(CCCC(C)C)OC(C)(C=C)CCCC(C)C.
What is the InChIKey of 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene?
The InChIKey is GFPBPXNNMFSKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-9-19(7,15-11-13-17(3)4)21-20(8,10-2)16-12-14-18(5)6/h9-10,17-18H,1-2,11-16H2,3-8H3.
What are the key properties of 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene?
3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene has a molecular weight of 294.52 g/mol, XLogP of 6.55, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene is sourced from PubChem (CID 174830533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).