3-methylpentan-2-ol;3-methylpentan-3-ol

C12H28O2 — CID 158561904

IUPAC3-methylpentan-2-ol;3-methylpentan-3-ol
SMILESCCC(C)(O)CC.CCC(C)C(C)O
InChIInChI=1S/2C6H14O/c1-4-6(3,7)5-2;1-4-5(2)6(3)7/h7H,4-5H2,1-3H3;5-7H,4H2,1-3H3
InChIKeyHQZJHKBAMYGUJW-UHFFFAOYSA-N
MW204.35 g/mol
LogP2.97
Rot. Bonds4

About 3-methylpentan-2-ol;3-methylpentan-3-ol

3-methylpentan-2-ol;3-methylpentan-3-ol (PubChem CID 158561904) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 3-methylpentan-2-ol;3-methylpentan-3-ol.

Molecular Properties

Compound Name3-methylpentan-2-ol;3-methylpentan-3-ol
PubChem CID158561904
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name3-methylpentan-2-ol;3-methylpentan-3-ol
SMILESCCC(C)(O)CC.CCC(C)C(C)O
InChIInChI=1S/2C6H14O/c1-4-6(3,7)5-2;1-4-5(2)6(3)7/h7H,4-5H2,1-3H3;5-7H,4H2,1-3H3
InChIKeyHQZJHKBAMYGUJW-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-methylpentan-2-ol
CID 6993006
3,8-dimethyldecane-3,7-diol
CID 87743565
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol
CID 90834044
3,5,6,7-tetramethyloctan-3-ol
CID 91548783
3,4,4-trimethylhexane-2,3-diol
CID 67159588
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
acetaldehyde;3-methylpentan-3-ol
CID 174322693
1-[4-(1-hydroxypropyl)phenoxy]-2-methylbutan-2-ol
CID 114494418
6-ethyl-3-methylnonane-4,6-diol
CID 87743551

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-2-ol;3-methylpentan-3-ol?
The IUPAC name of 3-methylpentan-2-ol;3-methylpentan-3-ol (CID 158561904) is 3-methylpentan-2-ol;3-methylpentan-3-ol.
What is the SMILES notation for 3-methylpentan-2-ol;3-methylpentan-3-ol?
The canonical SMILES for 3-methylpentan-2-ol;3-methylpentan-3-ol is CCC(C)(O)CC.CCC(C)C(C)O.
What is the InChIKey of 3-methylpentan-2-ol;3-methylpentan-3-ol?
The InChIKey is HQZJHKBAMYGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O/c1-4-6(3,7)5-2;1-4-5(2)6(3)7/h7H,4-5H2,1-3H3;5-7H,4H2,1-3H3.
What are the key properties of 3-methylpentan-2-ol;3-methylpentan-3-ol?
3-methylpentan-2-ol;3-methylpentan-3-ol has a molecular weight of 204.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-2-ol;3-methylpentan-3-ol is sourced from PubChem (CID 158561904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).