1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol

C11H24O4 — CID 70350991

IUPAC1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol
SMILESCC(CO)CO.CC1(O)CCC(O)CC1
InChIInChI=1S/C7H14O2.C4H10O2/c1-7(9)4-2-6(8)3-5-7;1-4(2-5)3-6/h6,8-9H,2-5H2,1H3;4-6H,2-3H2,1H3
InChIKeyBMUDQRGQZBGGPG-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.28
Rot. Bonds2

About 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol

1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol (PubChem CID 70350991) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol.

Molecular Properties

Compound Name1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol
PubChem CID70350991
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol
SMILESCC(CO)CO.CC1(O)CCC(O)CC1
InChIInChI=1S/C7H14O2.C4H10O2/c1-7(9)4-2-6(8)3-5-7;1-4(2-5)3-6/h6,8-9H,2-5H2,1H3;4-6H,2-3H2,1H3
InChIKeyBMUDQRGQZBGGPG-UHFFFAOYSA-N
XLogP0.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
1-methylcyclohexane-1,4-diol;prop-2-enoic acid
CID 70442986
4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
CID 130531637
1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol
CID 68529032
ethane;2-methylpropane-1,3-diol
CID 87127502
cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol
CID 160600152
1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol
CID 156700086
4-amino-4-propan-2-ylcyclohexan-1-ol
CID 99985687
3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872983
1-cyclohexylethanol;1-methylcyclooctan-1-ol
CID 18968457
4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol
CID 172588901
(3S,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 5284190

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol?
The IUPAC name of 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol (CID 70350991) is 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol.
What is the SMILES notation for 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol?
The canonical SMILES for 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol is CC(CO)CO.CC1(O)CCC(O)CC1.
What is the InChIKey of 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol?
The InChIKey is BMUDQRGQZBGGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C4H10O2/c1-7(9)4-2-6(8)3-5-7;1-4(2-5)3-6/h6,8-9H,2-5H2,1H3;4-6H,2-3H2,1H3.
What are the key properties of 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol?
1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol has a molecular weight of 220.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol is sourced from PubChem (CID 70350991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).