2-methylpentan-1-ol;4-methylpentan-2-ol

C12H28O2 — CID 160710819

IUPAC2-methylpentan-1-ol;4-methylpentan-2-ol
SMILESCC(C)CC(C)O.CCCC(C)CO
InChIInChI=1S/2C6H14O/c1-5(2)4-6(3)7;1-3-4-6(2)5-7/h5-7H,4H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyRRVHYCIYDCQSDQ-UHFFFAOYSA-N
MW204.35 g/mol
LogP2.83
Rot. Bonds5

About 2-methylpentan-1-ol;4-methylpentan-2-ol

2-methylpentan-1-ol;4-methylpentan-2-ol (PubChem CID 160710819) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 2-methylpentan-1-ol;4-methylpentan-2-ol.

Molecular Properties

Compound Name2-methylpentan-1-ol;4-methylpentan-2-ol
PubChem CID160710819
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name2-methylpentan-1-ol;4-methylpentan-2-ol
SMILESCC(C)CC(C)O.CCCC(C)CO
InChIInChI=1S/2C6H14O/c1-5(2)4-6(3)7;1-3-4-6(2)5-7/h5-7H,4H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyRRVHYCIYDCQSDQ-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462
magnesium;hydride;2-methylpentan-1-ol;hydrochloride
CID 174286347
ethane-1,2-diol;4-methylpentan-2-ol
CID 158261198
2-ethylbutan-1-ol;4-methylpentan-2-ol
CID 18702116
methane;(2R)-4-methylpentan-2-ol
CID 159585988
4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154
(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
CID 129322484
4,6-dimethyl-2-propylheptan-1-ol
CID 122367214
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2-methylhexan-1-ol
CID 159157237
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-1-ol;4-methylpentan-2-ol?
The IUPAC name of 2-methylpentan-1-ol;4-methylpentan-2-ol (CID 160710819) is 2-methylpentan-1-ol;4-methylpentan-2-ol.
What is the SMILES notation for 2-methylpentan-1-ol;4-methylpentan-2-ol?
The canonical SMILES for 2-methylpentan-1-ol;4-methylpentan-2-ol is CC(C)CC(C)O.CCCC(C)CO.
What is the InChIKey of 2-methylpentan-1-ol;4-methylpentan-2-ol?
The InChIKey is RRVHYCIYDCQSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O/c1-5(2)4-6(3)7;1-3-4-6(2)5-7/h5-7H,4H2,1-3H3;6-7H,3-5H2,1-2H3.
What are the key properties of 2-methylpentan-1-ol;4-methylpentan-2-ol?
2-methylpentan-1-ol;4-methylpentan-2-ol has a molecular weight of 204.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-1-ol;4-methylpentan-2-ol is sourced from PubChem (CID 160710819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).