2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol

C28H48O3 — CID 167376522

IUPAC2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol
SMILESCC(C)=CCCC(C)CCOC(C)(C)CCCC(C)CCOC(CO)c1ccccc1
InChIInChI=1S/C28H48O3/c1-23(2)12-10-13-24(3)18-21-31-28(5,6)19-11-14-25(4)17-20-30-27(22-29)26-15-8-7-9-16-26/h7-9,12,15-16,24-25,27,29H,10-11,13-14,17-22H2,1-6H3
InChIKeyANYRXSFOBOVLPW-UHFFFAOYSA-N
MW432.69 g/mol
LogP7.50
Rot. Bonds17

About 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol

2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol (PubChem CID 167376522) has the molecular formula C28H48O3 and a molecular weight of 432.69 g/mol. Its IUPAC name is 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol.

Molecular Properties

Compound Name2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol
PubChem CID167376522
Molecular FormulaC28H48O3
Molecular Weight432.69 g/mol
Exact Mass432.36
IUPAC Name2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol
SMILESCC(C)=CCCC(C)CCOC(C)(C)CCCC(C)CCOC(CO)c1ccccc1
InChIInChI=1S/C28H48O3/c1-23(2)12-10-13-24(3)18-21-31-28(5,6)19-11-14-25(4)17-20-30-27(22-29)26-15-8-7-9-16-26/h7-9,12,15-16,24-25,27,29H,10-11,13-14,17-22H2,1-6H3
InChIKeyANYRXSFOBOVLPW-UHFFFAOYSA-N
XLogP7.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol with MolForge

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

Launch Full Analysis

Related Compounds

3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate
CID 146442229
2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-methyl-6-methylideneoct-7-en-3-ol
CID 167376520
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
bis(3,7-dimethyloct-6-enoxy)methanediol
CID 18544976
[(3S)-3,7-dimethyloct-6-enyl] (E)-3-phenylprop-2-enoate
CID 86310523
[(3S)-3,7-dimethyloct-6-enyl] (Z)-3-phenylprop-2-enoate
CID 97304810
2-(3,7-dimethyloct-6-enoxy)pyrimidine
CID 139618937
2-(3,7-dimethyloct-6-enoxy)-1-phenylethanone
CID 121429527
aniline;3,7-dimethyloct-6-enyl formate
CID 174848880
methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate
CID 10781755
(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
CID 87863892
7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 155653781

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol?
The IUPAC name of 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol (CID 167376522) is 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol.
What is the SMILES notation for 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol?
The canonical SMILES for 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol is CC(C)=CCCC(C)CCOC(C)(C)CCCC(C)CCOC(CO)c1ccccc1.
What is the InChIKey of 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol?
The InChIKey is ANYRXSFOBOVLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O3/c1-23(2)12-10-13-24(3)18-21-31-28(5,6)19-11-14-25(4)17-20-30-27(22-29)26-15-8-7-9-16-26/h7-9,12,15-16,24-25,27,29H,10-11,13-14,17-22H2,1-6H3.
What are the key properties of 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol?
2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol has a molecular weight of 432.69 g/mol, XLogP of 7.50, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-2-phenylethanol is sourced from PubChem (CID 167376522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).