6-methoxy-4,4,5-trimethylhexan-2-ol

C10H22O2 — CID 64715140

IUPAC6-methoxy-4,4,5-trimethylhexan-2-ol
SMILESCOCC(C)C(C)(C)CC(C)O
InChIInChI=1S/C10H22O2/c1-8(7-12-5)10(3,4)6-9(2)11/h8-9,11H,6-7H2,1-5H3
InChIKeyKSTJJDNXSZNXFN-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.07
Rot. Bonds5

About 6-methoxy-4,4,5-trimethylhexan-2-ol

6-methoxy-4,4,5-trimethylhexan-2-ol (PubChem CID 64715140) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 6-methoxy-4,4,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name6-methoxy-4,4,5-trimethylhexan-2-ol
PubChem CID64715140
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name6-methoxy-4,4,5-trimethylhexan-2-ol
SMILESCOCC(C)C(C)(C)CC(C)O
InChIInChI=1S/C10H22O2/c1-8(7-12-5)10(3,4)6-9(2)11/h8-9,11H,6-7H2,1-5H3
InChIKeyKSTJJDNXSZNXFN-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-methoxy-2,3,3-trimethylhexane
CID 64717465
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
1-methoxypropan-2-ol chloride
CID 23303898
1,3,3-trimethoxy-2-methylbutane
CID 140983867
(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
CID 97033653
4,4,5,6-tetramethyloctan-2-ol
CID 156689477
1-methoxypropan-2-ol;propane
CID 159966080
4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol
CID 139945230
(2S)-4-tert-butylperoxy-4-methylpentan-2-ol
CID 124559678
4-methylheptane-2,4,6-triol
CID 90439710

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,4,5-trimethylhexan-2-ol?
The IUPAC name of 6-methoxy-4,4,5-trimethylhexan-2-ol (CID 64715140) is 6-methoxy-4,4,5-trimethylhexan-2-ol.
What is the SMILES notation for 6-methoxy-4,4,5-trimethylhexan-2-ol?
The canonical SMILES for 6-methoxy-4,4,5-trimethylhexan-2-ol is COCC(C)C(C)(C)CC(C)O.
What is the InChIKey of 6-methoxy-4,4,5-trimethylhexan-2-ol?
The InChIKey is KSTJJDNXSZNXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-8(7-12-5)10(3,4)6-9(2)11/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 6-methoxy-4,4,5-trimethylhexan-2-ol?
6-methoxy-4,4,5-trimethylhexan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,4,5-trimethylhexan-2-ol is sourced from PubChem (CID 64715140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).