3-methyl-3-propylhexan-2-ol

C10H22O — CID 20501676

IUPAC3-methyl-3-propylhexan-2-ol
SMILESCCCC(C)(CCC)C(C)O
InChIInChI=1S/C10H22O/c1-5-7-10(4,8-6-2)9(3)11/h9,11H,5-8H2,1-4H3
InChIKeyCBDOKLYBHMINNN-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.97
Rot. Bonds5

About 3-methyl-3-propylhexan-2-ol

3-methyl-3-propylhexan-2-ol (PubChem CID 20501676) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-methyl-3-propylhexan-2-ol.

Molecular Properties

Compound Name3-methyl-3-propylhexan-2-ol
PubChem CID20501676
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-methyl-3-propylhexan-2-ol
SMILESCCCC(C)(CCC)C(C)O
InChIInChI=1S/C10H22O/c1-5-7-10(4,8-6-2)9(3)11/h9,11H,5-8H2,1-4H3
InChIKeyCBDOKLYBHMINNN-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Butyl-2-ethyl-1,3-propanediol
CID 61038
1-Pentanol, 2-propyl-
CID 123543
4-Methyl-3-heptanol
CID 26989
3-Methyl-2-heptanol
CID 35784
2-Methylheptan-3-ol
CID 86781
3-Methylhexan-2-ol
CID 16835
2,4-Dimethylhexan-3-ol
CID 98257
2,2-Dimethylhexan-3-ol
CID 98265
2,4-Dimethyl-3-heptanol
CID 140545
3-Hexanol, 4-ethyl-
CID 140585
5-Methyl-2-heptanol
CID 41143
6-Methylheptan-3-ol
CID 86783

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propylhexan-2-ol?
The IUPAC name of 3-methyl-3-propylhexan-2-ol (CID 20501676) is 3-methyl-3-propylhexan-2-ol.
What is the SMILES notation for 3-methyl-3-propylhexan-2-ol?
The canonical SMILES for 3-methyl-3-propylhexan-2-ol is CCCC(C)(CCC)C(C)O.
What is the InChIKey of 3-methyl-3-propylhexan-2-ol?
The InChIKey is CBDOKLYBHMINNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-10(4,8-6-2)9(3)11/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-methyl-3-propylhexan-2-ol?
3-methyl-3-propylhexan-2-ol has a molecular weight of 158.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propylhexan-2-ol is sourced from PubChem (CID 20501676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).