cyclohexane-1,4-diol;2-methylbutane

C11H24O2 — CID 145319923

IUPACcyclohexane-1,4-diol;2-methylbutane
SMILESCCC(C)C.OC1CCC(O)CC1
InChIInChI=1S/C6H12O2.C5H12/c7-5-1-2-6(8)4-3-5;1-4-5(2)3/h5-8H,1-4H2;5H,4H2,1-3H3
InChIKeyXUYGOQQQITXDLX-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.33
Rot. Bonds1

About cyclohexane-1,4-diol;2-methylbutane

cyclohexane-1,4-diol;2-methylbutane (PubChem CID 145319923) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is cyclohexane-1,4-diol;2-methylbutane.

Molecular Properties

Compound Namecyclohexane-1,4-diol;2-methylbutane
PubChem CID145319923
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namecyclohexane-1,4-diol;2-methylbutane
SMILESCCC(C)C.OC1CCC(O)CC1
InChIInChI=1S/C6H12O2.C5H12/c7-5-1-2-6(8)4-3-5;1-4-5(2)3/h5-8H,1-4H2;5H,4H2,1-3H3
InChIKeyXUYGOQQQITXDLX-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-ylcyclohexan-1-ol
CID 159817143
4-(2-methylpropylamino)cyclohexan-1-ol
CID 8024862
4-(1-aminopropyl)cyclohexan-1-ol
CID 116941798
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
cyclohexane-1,4-diol
CID 11162
4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
CID 43201193
cyclohexane-1,4-diol;ethoxyethane
CID 174832685
2-methylbutane;methylcyclobutane
CID 57473841
hydroxylamine;2-methylbutane
CID 175063986
4-[1-(methylamino)propyl]cyclohexan-1-ol
CID 116956981
4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 54535850

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diol;2-methylbutane?
The IUPAC name of cyclohexane-1,4-diol;2-methylbutane (CID 145319923) is cyclohexane-1,4-diol;2-methylbutane.
What is the SMILES notation for cyclohexane-1,4-diol;2-methylbutane?
The canonical SMILES for cyclohexane-1,4-diol;2-methylbutane is CCC(C)C.OC1CCC(O)CC1.
What is the InChIKey of cyclohexane-1,4-diol;2-methylbutane?
The InChIKey is XUYGOQQQITXDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H12/c7-5-1-2-6(8)4-3-5;1-4-5(2)3/h5-8H,1-4H2;5H,4H2,1-3H3.
What are the key properties of cyclohexane-1,4-diol;2-methylbutane?
cyclohexane-1,4-diol;2-methylbutane has a molecular weight of 188.31 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diol;2-methylbutane is sourced from PubChem (CID 145319923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).