6-methoxy-3,3,5-trimethylhexan-2-ol

C10H22O2 — CID 23563783

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

About 6-methoxy-3,3,5-trimethylhexan-2-ol

6-methoxy-3,3,5-trimethylhexan-2-ol (PubChem CID 23563783) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 6-methoxy-3,3,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name6-methoxy-3,3,5-trimethylhexan-2-ol
PubChem CID23563783
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name6-methoxy-3,3,5-trimethylhexan-2-ol
SMILESCOCC(C)CC(C)(C)C(C)O
InChIInChI=1S/C10H22O2/c1-8(7-12-5)6-10(3,4)9(2)11/h8-9,11H,6-7H2,1-5H3
InChIKeyMDTFOGMAAMJUDF-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3,5-trimethylhexan-2-ol?
The IUPAC name of 6-methoxy-3,3,5-trimethylhexan-2-ol (CID 23563783) is 6-methoxy-3,3,5-trimethylhexan-2-ol.
What is the SMILES notation for 6-methoxy-3,3,5-trimethylhexan-2-ol?
The canonical SMILES for 6-methoxy-3,3,5-trimethylhexan-2-ol is COCC(C)CC(C)(C)C(C)O.
What is the InChIKey of 6-methoxy-3,3,5-trimethylhexan-2-ol?
The InChIKey is MDTFOGMAAMJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-8(7-12-5)6-10(3,4)9(2)11/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 6-methoxy-3,3,5-trimethylhexan-2-ol?
6-methoxy-3,3,5-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-3,3,5-trimethylhexan-2-ol is sourced from PubChem (CID 23563783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).