4-tert-butylcyclohexan-1-ol;methane

C11H24O — CID 159612628

IUPAC4-tert-butylcyclohexan-1-ol;methane
SMILESC.CC(C)(C)C1CCC(O)CC1
InChIInChI=1S/C10H20O.CH4/c1-10(2,3)8-4-6-9(11)7-5-8;/h8-9,11H,4-7H2,1-3H3;1H4
InChIKeyMMWUVVRPHLBYAF-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds

About 4-tert-butylcyclohexan-1-ol;methane

4-tert-butylcyclohexan-1-ol;methane (PubChem CID 159612628) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4-tert-butylcyclohexan-1-ol;methane.

Molecular Properties

Compound Name4-tert-butylcyclohexan-1-ol;methane
PubChem CID159612628
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4-tert-butylcyclohexan-1-ol;methane
SMILESC.CC(C)(C)C1CCC(O)CC1
InChIInChI=1S/C10H20O.CH4/c1-10(2,3)8-4-6-9(11)7-5-8;/h8-9,11H,4-7H2,1-3H3;1H4
InChIKeyMMWUVVRPHLBYAF-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylcyclohexan-1-ol;methane?
The IUPAC name of 4-tert-butylcyclohexan-1-ol;methane (CID 159612628) is 4-tert-butylcyclohexan-1-ol;methane.
What is the SMILES notation for 4-tert-butylcyclohexan-1-ol;methane?
The canonical SMILES for 4-tert-butylcyclohexan-1-ol;methane is C.CC(C)(C)C1CCC(O)CC1.
What is the InChIKey of 4-tert-butylcyclohexan-1-ol;methane?
The InChIKey is MMWUVVRPHLBYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.CH4/c1-10(2,3)8-4-6-9(11)7-5-8;/h8-9,11H,4-7H2,1-3H3;1H4.
What are the key properties of 4-tert-butylcyclohexan-1-ol;methane?
4-tert-butylcyclohexan-1-ol;methane has a molecular weight of 172.31 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclohexan-1-ol;methane is sourced from PubChem (CID 159612628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).