4-ethyl-4-methoxy-5-methylhexan-3-ol

C10H22O2 — CID 23385015

IUPAC4-ethyl-4-methoxy-5-methylhexan-3-ol
SMILESCCC(O)C(CC)(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-6-9(11)10(7-2,12-5)8(3)4/h8-9,11H,6-7H2,1-5H3
InChIKeyPSPAHTMANSDDBJ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds5

About 4-ethyl-4-methoxy-5-methylhexan-3-ol

4-ethyl-4-methoxy-5-methylhexan-3-ol (PubChem CID 23385015) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-ethyl-4-methoxy-5-methylhexan-3-ol.

Molecular Properties

Compound Name4-ethyl-4-methoxy-5-methylhexan-3-ol
PubChem CID23385015
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-ethyl-4-methoxy-5-methylhexan-3-ol
SMILESCCC(O)C(CC)(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-6-9(11)10(7-2,12-5)8(3)4/h8-9,11H,6-7H2,1-5H3
InChIKeyPSPAHTMANSDDBJ-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-4-methoxy-5-methylhexan-3-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

3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912
3-methoxy-3-(methoxymethyl)-2,4-dimethylpentane
CID 23384967
6-ethyl-3-methoxy-3-methyloctan-4-ol
CID 116752010
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol
CID 88835222
2-methylpentane-3,3-diol
CID 87103548
2,2-dimethoxy-3-methylbutan-1-ol
CID 57218658
(3-ethyl-2,4-dimethylhexan-3-yl) 2-methylprop-2-enoate
CID 160518137
1,1-dimethoxy-2-methylpentane-1,3-diol
CID 175302560
(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
CID 59039431
4-amino-4-(1-hydroxypropyl)-5-methyloctane-3,6-diol
CID 140506267
6-ethyl-3-methoxy-3-methyloctan-4-one
CID 116746584

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methoxy-5-methylhexan-3-ol?
The IUPAC name of 4-ethyl-4-methoxy-5-methylhexan-3-ol (CID 23385015) is 4-ethyl-4-methoxy-5-methylhexan-3-ol.
What is the SMILES notation for 4-ethyl-4-methoxy-5-methylhexan-3-ol?
The canonical SMILES for 4-ethyl-4-methoxy-5-methylhexan-3-ol is CCC(O)C(CC)(OC)C(C)C.
What is the InChIKey of 4-ethyl-4-methoxy-5-methylhexan-3-ol?
The InChIKey is PSPAHTMANSDDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-9(11)10(7-2,12-5)8(3)4/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 4-ethyl-4-methoxy-5-methylhexan-3-ol?
4-ethyl-4-methoxy-5-methylhexan-3-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methoxy-5-methylhexan-3-ol is sourced from PubChem (CID 23385015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).