2-methylpentane-2,4-diol

C6H14O2 — CID 7870

IUPAC2-methylpentane-2,4-diol
SMILESCC(O)CC(C)(C)O
InChIInChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChIKeySVTBMSDMJJWYQN-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.53
Rot. Bonds2

About 2-methylpentane-2,4-diol

2-methylpentane-2,4-diol (PubChem CID 7870) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-methylpentane-2,4-diol.

Molecular Properties

Compound Name2-methylpentane-2,4-diol
PubChem CID7870
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name2-methylpentane-2,4-diol
SMILESCC(O)CC(C)(C)O
InChIInChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChIKeySVTBMSDMJJWYQN-UHFFFAOYSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethoxyethane;2-methylpentane-2,4-diol
CID 19391902
4-methylheptane-2,4,6-triol
CID 90439710
2-methylpentane-2,4-diol;2-methyl-2-propylpropane-1,3-diol
CID 88709547
benzene-1,2-diamine;2-methylpentane-2,4-diol
CID 174865255
1-butoxybutane;2-methylpentane-2,4-diol
CID 19966802
2,4-dimethylheptane-2,6-diol
CID 53400290
cyclohexane-1,1-diamine;2-methylpentane-2,4-diol
CID 174848693
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
2-methanidylpentane-2,4-diol;zirconium
CID 87932896
bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);2-methylpentane-2,4-diol;titanium
CID 158968967
2-(dimethylamino)pentane-2,4-diol
CID 57216279
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993

Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-2,4-diol?
The IUPAC name of 2-methylpentane-2,4-diol (CID 7870) is 2-methylpentane-2,4-diol.
What is the SMILES notation for 2-methylpentane-2,4-diol?
The canonical SMILES for 2-methylpentane-2,4-diol is CC(O)CC(C)(C)O.
What is the InChIKey of 2-methylpentane-2,4-diol?
The InChIKey is SVTBMSDMJJWYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3.
What are the key properties of 2-methylpentane-2,4-diol?
2-methylpentane-2,4-diol has a molecular weight of 118.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-2,4-diol is sourced from PubChem (CID 7870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).