5-methoxy-3,5-dimethylhexan-3-ol

C9H20O2 — CID 5209803

IUPAC5-methoxy-3,5-dimethylhexan-3-ol
SMILESCCC(C)(O)CC(C)(C)OC
InChIInChI=1S/C9H20O2/c1-6-9(4,10)7-8(2,3)11-5/h10H,6-7H2,1-5H3
InChIKeyPDAULZKQVJHNFB-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.96
Rot. Bonds4

About 5-methoxy-3,5-dimethylhexan-3-ol

5-methoxy-3,5-dimethylhexan-3-ol (PubChem CID 5209803) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 5-methoxy-3,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name5-methoxy-3,5-dimethylhexan-3-ol
PubChem CID5209803
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name5-methoxy-3,5-dimethylhexan-3-ol
SMILESCCC(C)(O)CC(C)(C)OC
InChIInChI=1S/C9H20O2/c1-6-9(4,10)7-8(2,3)11-5/h10H,6-7H2,1-5H3
InChIKeyPDAULZKQVJHNFB-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,5-dimethylhexan-3-ol?
The IUPAC name of 5-methoxy-3,5-dimethylhexan-3-ol (CID 5209803) is 5-methoxy-3,5-dimethylhexan-3-ol.
What is the SMILES notation for 5-methoxy-3,5-dimethylhexan-3-ol?
The canonical SMILES for 5-methoxy-3,5-dimethylhexan-3-ol is CCC(C)(O)CC(C)(C)OC.
What is the InChIKey of 5-methoxy-3,5-dimethylhexan-3-ol?
The InChIKey is PDAULZKQVJHNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-6-9(4,10)7-8(2,3)11-5/h10H,6-7H2,1-5H3.
What are the key properties of 5-methoxy-3,5-dimethylhexan-3-ol?
5-methoxy-3,5-dimethylhexan-3-ol has a molecular weight of 160.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,5-dimethylhexan-3-ol is sourced from PubChem (CID 5209803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).