2,3,6-trimethylheptan-2-ol

C10H22O — CID 59087571

IUPAC2,3,6-trimethylheptan-2-ol
SMILESCC(C)CCC(C)C(C)(C)O
InChIInChI=1S/C10H22O/c1-8(2)6-7-9(3)10(4,5)11/h8-9,11H,6-7H2,1-5H3
InChIKeyXLVOYXICTMSNGR-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds4

About 2,3,6-trimethylheptan-2-ol

2,3,6-trimethylheptan-2-ol (PubChem CID 59087571) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2,3,6-trimethylheptan-2-ol.

Molecular Properties

Compound Name2,3,6-trimethylheptan-2-ol
PubChem CID59087571
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2,3,6-trimethylheptan-2-ol
SMILESCC(C)CCC(C)C(C)(C)O
InChIInChI=1S/C10H22O/c1-8(2)6-7-9(3)10(4,5)11/h8-9,11H,6-7H2,1-5H3
InChIKeyXLVOYXICTMSNGR-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,3,4,7-pentamethyloctane-2-thiol
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2,5,8-trimethylnonan-5-ol
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(3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol
CID 134957540
ethane;2,2,4,4,5,8-hexamethylnonane
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2,3,5-trimethyloctan-2-ol
CID 123479971
2,5-dimethylhexan-2-ol;ethene
CID 144803935
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol
CID 87601650
2,5,6,9,10,10-hexamethyltridecane
CID 144617214

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylheptan-2-ol?
The IUPAC name of 2,3,6-trimethylheptan-2-ol (CID 59087571) is 2,3,6-trimethylheptan-2-ol.
What is the SMILES notation for 2,3,6-trimethylheptan-2-ol?
The canonical SMILES for 2,3,6-trimethylheptan-2-ol is CC(C)CCC(C)C(C)(C)O.
What is the InChIKey of 2,3,6-trimethylheptan-2-ol?
The InChIKey is XLVOYXICTMSNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-8(2)6-7-9(3)10(4,5)11/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 2,3,6-trimethylheptan-2-ol?
2,3,6-trimethylheptan-2-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylheptan-2-ol is sourced from PubChem (CID 59087571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).