butan-2-ol;4-methylcyclohexan-1-ol

C11H24O2 — CID 70554453

IUPACbutan-2-ol;4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1.CCC(C)O
InChIInChI=1S/C7H14O.C4H10O/c1-6-2-4-7(8)5-3-6;1-3-4(2)5/h6-8H,2-5H2,1H3;4-5H,3H2,1-2H3
InChIKeyWFVBAAUJSKDDBW-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.33
Rot. Bonds1

About butan-2-ol;4-methylcyclohexan-1-ol

butan-2-ol;4-methylcyclohexan-1-ol (PubChem CID 70554453) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is butan-2-ol;4-methylcyclohexan-1-ol.

Molecular Properties

Compound Namebutan-2-ol;4-methylcyclohexan-1-ol
PubChem CID70554453
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namebutan-2-ol;4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1.CCC(C)O
InChIInChI=1S/C7H14O.C4H10O/c1-6-2-4-7(8)5-3-6;1-3-4(2)5/h6-8H,2-5H2,1H3;4-5H,3H2,1-2H3
InChIKeyWFVBAAUJSKDDBW-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

CID 7211
CID 7211
CID 11524
CID 11524
CID 97960
CID 97960
CID 137829
CID 137829
CID 26989
CID 26989
CID 20739
CID 20739
CID 138614
CID 138614
CID 112065
CID 112065
CID 78293
CID 78293
CID 21428
CID 21428
CID 35784
CID 35784
CID 98251
CID 98251

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;4-methylcyclohexan-1-ol?
The IUPAC name of butan-2-ol;4-methylcyclohexan-1-ol (CID 70554453) is butan-2-ol;4-methylcyclohexan-1-ol.
What is the SMILES notation for butan-2-ol;4-methylcyclohexan-1-ol?
The canonical SMILES for butan-2-ol;4-methylcyclohexan-1-ol is CC1CCC(O)CC1.CCC(C)O.
What is the InChIKey of butan-2-ol;4-methylcyclohexan-1-ol?
The InChIKey is WFVBAAUJSKDDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C4H10O/c1-6-2-4-7(8)5-3-6;1-3-4(2)5/h6-8H,2-5H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;4-methylcyclohexan-1-ol?
butan-2-ol;4-methylcyclohexan-1-ol 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 butan-2-ol;4-methylcyclohexan-1-ol is sourced from PubChem (CID 70554453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).