4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol

C14H30O4 — CID 123708983

IUPAC4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
SMILESCCC(C)(CCCO)OCCC(C)(C)OCCO
InChIInChI=1S/C14H30O4/c1-5-14(4,7-6-9-15)18-11-8-13(2,3)17-12-10-16/h15-16H,5-12H2,1-4H3
InChIKeyXVFSCRGURQIQIC-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.12
Rot. Bonds11

About 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol

4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol (PubChem CID 123708983) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol.

Molecular Properties

Compound Name4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
PubChem CID123708983
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
SMILESCCC(C)(CCCO)OCCC(C)(C)OCCO
InChIInChI=1S/C14H30O4/c1-5-14(4,7-6-9-15)18-11-8-13(2,3)17-12-10-16/h15-16H,5-12H2,1-4H3
InChIKeyXVFSCRGURQIQIC-UHFFFAOYSA-N
XLogP2.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol 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

4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
CID 90861062
4-[4-[3-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]propoxy]-4-methylhexoxy]-4-methylpentan-1-ol
CID 134254438
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
CID 155151234
4-(3-methyl-3-pentoxybutoxy)butan-1-ol
CID 166741277
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528
4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
CID 143332737
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol
CID 88920840
O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine
CID 123603845
1-[[4-[3-[2-[(3,5-dimethoxyphenyl)methoxy]ethoxy]-3-methylbutoxy]-4-methylhexoxy]methyl]-3,5-dimethoxybenzene
CID 123414097
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol?
The IUPAC name of 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol (CID 123708983) is 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol.
What is the SMILES notation for 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol?
The canonical SMILES for 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol is CCC(C)(CCCO)OCCC(C)(C)OCCO.
What is the InChIKey of 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol?
The InChIKey is XVFSCRGURQIQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-5-14(4,7-6-9-15)18-11-8-13(2,3)17-12-10-16/h15-16H,5-12H2,1-4H3.
What are the key properties of 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol?
4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 2.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol is sourced from PubChem (CID 123708983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).