3,5-dimethyl-3-propylhexan-2-ol

C11H24O — CID 20501854

IUPAC3,5-dimethyl-3-propylhexan-2-ol
SMILESCCCC(C)(CC(C)C)C(C)O
InChIInChI=1S/C11H24O/c1-6-7-11(5,10(4)12)8-9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyGAUWSUQGPZSQGX-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds5

About 3,5-dimethyl-3-propylhexan-2-ol

3,5-dimethyl-3-propylhexan-2-ol (PubChem CID 20501854) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3,5-dimethyl-3-propylhexan-2-ol.

Molecular Properties

Compound Name3,5-dimethyl-3-propylhexan-2-ol
PubChem CID20501854
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3,5-dimethyl-3-propylhexan-2-ol
SMILESCCCC(C)(CC(C)C)C(C)O
InChIInChI=1S/C11H24O/c1-6-7-11(5,10(4)12)8-9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyGAUWSUQGPZSQGX-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-propylhexan-2-ol
CID 20501676
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
3-methyl-3-propyloctan-2-ol
CID 20501793
4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 160526423
2,4-dimethyl-2-propylpentane-1,3-diol
CID 19375233
2-methylpropan-1-ol;2,2,4-trimethylpentane-1,1-diol
CID 172688938
2,4-dimethylheptan-4-olate
CID 58624964
3-ethyl-2,3,5-trimethylhexane
CID 53428900
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
3-methyl-3-propylhexane-2-thiol
CID 123142515
4-methylheptane-2,3,4-triol
CID 158291327
3,3-dimethylnonan-2-ol
CID 19931299

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-propylhexan-2-ol?
The IUPAC name of 3,5-dimethyl-3-propylhexan-2-ol (CID 20501854) is 3,5-dimethyl-3-propylhexan-2-ol.
What is the SMILES notation for 3,5-dimethyl-3-propylhexan-2-ol?
The canonical SMILES for 3,5-dimethyl-3-propylhexan-2-ol is CCCC(C)(CC(C)C)C(C)O.
What is the InChIKey of 3,5-dimethyl-3-propylhexan-2-ol?
The InChIKey is GAUWSUQGPZSQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-7-11(5,10(4)12)8-9(2)3/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 3,5-dimethyl-3-propylhexan-2-ol?
3,5-dimethyl-3-propylhexan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-propylhexan-2-ol is sourced from PubChem (CID 20501854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).