4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol

C12H26O3 — CID 170009716

IUPAC4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
SMILESCOC(C)(C)CCOC(C)(C)CCCO
InChIInChI=1S/C12H26O3/c1-11(2,14-5)8-10-15-12(3,4)7-6-9-13/h13H,6-10H2,1-5H3
InChIKeyBMOYDXMWGKIXTH-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.37
Rot. Bonds8

About 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol

4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol (PubChem CID 170009716) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
PubChem CID170009716
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
SMILESCOC(C)(C)CCOC(C)(C)CCCO
InChIInChI=1S/C12H26O3/c1-11(2,14-5)8-10-15-12(3,4)7-6-9-13/h13H,6-10H2,1-5H3
InChIKeyBMOYDXMWGKIXTH-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-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

7-methoxy-7-methyloctan-1-ol
CID 175444354
2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol
CID 146582982
4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
CID 123708983
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482
N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]-N-tetradecyltetradecan-1-amine
CID 167283849
3,4,5,6-tetrahydroxy-1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]hexan-2-one
CID 91614471
4-(3-methyl-3-pentoxybutoxy)butan-1-ol
CID 166741277
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
[2-(3-methoxy-3-methylbutoxy)-2-methylpropyl]carbamoyl acetate
CID 118407791
tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
CID 88982761

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol (CID 170009716) is 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol is COC(C)(C)CCOC(C)(C)CCCO.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol?
The InChIKey is BMOYDXMWGKIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-11(2,14-5)8-10-15-12(3,4)7-6-9-13/h13H,6-10H2,1-5H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol?
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol is sourced from PubChem (CID 170009716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).