(3R,4R)-4-ethoxy-5-methylhexan-3-ol

C9H20O2 — CID 59039577

IUPAC(3R,4R)-4-ethoxy-5-methylhexan-3-ol
SMILESCCO[C@H](C(C)C)[C@H](O)CC
InChIInChI=1S/C9H20O2/c1-5-8(10)9(7(3)4)11-6-2/h7-10H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyNONCZFJEYPMTNX-RKDXNWHRSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds5

About (3R,4R)-4-ethoxy-5-methylhexan-3-ol

(3R,4R)-4-ethoxy-5-methylhexan-3-ol (PubChem CID 59039577) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is (3R,4R)-4-ethoxy-5-methylhexan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-ethoxy-5-methylhexan-3-ol
PubChem CID59039577
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name(3R,4R)-4-ethoxy-5-methylhexan-3-ol
SMILESCCO[C@H](C(C)C)[C@H](O)CC
InChIInChI=1S/C9H20O2/c1-5-8(10)9(7(3)4)11-6-2/h7-10H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyNONCZFJEYPMTNX-RKDXNWHRSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-4-methylpentane-1,2-diol
CID 23384895
3-ethoxy-6-ethyl-2-methyloctan-4-ol
CID 116712298
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712154
CID 159597367
CID 159597367
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
2-ethoxy-4-methylpentan-3-ol
CID 64541763
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712395
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712337
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
5-methylheptane-3,4-diol
CID 21486220
strontium;1-ethoxyethanol;hydride
CID 174472576

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethoxy-5-methylhexan-3-ol?
The IUPAC name of (3R,4R)-4-ethoxy-5-methylhexan-3-ol (CID 59039577) is (3R,4R)-4-ethoxy-5-methylhexan-3-ol.
What is the SMILES notation for (3R,4R)-4-ethoxy-5-methylhexan-3-ol?
The canonical SMILES for (3R,4R)-4-ethoxy-5-methylhexan-3-ol is CCO[C@H](C(C)C)[C@H](O)CC.
What is the InChIKey of (3R,4R)-4-ethoxy-5-methylhexan-3-ol?
The InChIKey is NONCZFJEYPMTNX-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-8(10)9(7(3)4)11-6-2/h7-10H,5-6H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-ethoxy-5-methylhexan-3-ol?
(3R,4R)-4-ethoxy-5-methylhexan-3-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethoxy-5-methylhexan-3-ol is sourced from PubChem (CID 59039577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).