1-(3-methylhexan-3-yloxy)ethanol

C9H20O2 — CID 87753364

IUPAC1-(3-methylhexan-3-yloxy)ethanol
SMILESCCCC(C)(CC)OC(C)O
InChIInChI=1S/C9H20O2/c1-5-7-9(4,6-2)11-8(3)10/h8,10H,5-7H2,1-4H3
InChIKeyFMOYKTYYAPGTSV-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.31
Rot. Bonds5

About 1-(3-methylhexan-3-yloxy)ethanol

1-(3-methylhexan-3-yloxy)ethanol (PubChem CID 87753364) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(3-methylhexan-3-yloxy)ethanol.

Molecular Properties

Compound Name1-(3-methylhexan-3-yloxy)ethanol
PubChem CID87753364
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-(3-methylhexan-3-yloxy)ethanol
SMILESCCCC(C)(CC)OC(C)O
InChIInChI=1S/C9H20O2/c1-5-7-9(4,6-2)11-8(3)10/h8,10H,5-7H2,1-4H3
InChIKeyFMOYKTYYAPGTSV-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(3-methylhexan-3-yloxy)ethanol 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-ethyl-2-(3-methylhexan-3-yloxy)hexan-3-one
CID 166943208
3-chloro-4-(3-methylhexan-3-yloxy)butan-2-ol
CID 91250027
O-(3-methylhexan-3-yl)hydroxylamine
CID 163872522
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
3-methyl-3-propylhexan-2-ol
CID 20501676
3-methylhexan-3-yl prop-2-enoate
CID 87498844
(2S)-4-methyl-1-(3-methylhexan-3-yloxy)pent-4-en-2-ol
CID 166999277
3-methyl-3-(3-methylbutoxy)hexane
CID 91309958
bis(3-methylhexan-3-yl) butanedioate
CID 22726145
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
1-(1-amino-2-methylpropan-2-yl)oxyethanol
CID 87187146
CID 22228704
CID 22228704

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhexan-3-yloxy)ethanol?
The IUPAC name of 1-(3-methylhexan-3-yloxy)ethanol (CID 87753364) is 1-(3-methylhexan-3-yloxy)ethanol.
What is the SMILES notation for 1-(3-methylhexan-3-yloxy)ethanol?
The canonical SMILES for 1-(3-methylhexan-3-yloxy)ethanol is CCCC(C)(CC)OC(C)O.
What is the InChIKey of 1-(3-methylhexan-3-yloxy)ethanol?
The InChIKey is FMOYKTYYAPGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-7-9(4,6-2)11-8(3)10/h8,10H,5-7H2,1-4H3.
What are the key properties of 1-(3-methylhexan-3-yloxy)ethanol?
1-(3-methylhexan-3-yloxy)ethanol has a molecular weight of 160.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhexan-3-yloxy)ethanol is sourced from PubChem (CID 87753364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).