methylcyclohexane;2-methylpropan-2-ol

C11H24O — CID 174648681

IUPACmethylcyclohexane;2-methylpropan-2-ol
SMILESCC(C)(C)O.CC1CCCCC1
InChIInChI=1S/C7H14.C4H10O/c1-7-5-3-2-4-6-7;1-4(2,3)5/h7H,2-6H2,1H3;5H,1-3H3
InChIKeyAVPSZDSJKHGCHL-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.36
Rot. Bonds

About methylcyclohexane;2-methylpropan-2-ol

methylcyclohexane;2-methylpropan-2-ol (PubChem CID 174648681) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is methylcyclohexane;2-methylpropan-2-ol.

Molecular Properties

Compound Namemethylcyclohexane;2-methylpropan-2-ol
PubChem CID174648681
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Namemethylcyclohexane;2-methylpropan-2-ol
SMILESCC(C)(C)O.CC1CCCCC1
InChIInChI=1S/C7H14.C4H10O/c1-7-5-3-2-4-6-7;1-4(2,3)5/h7H,2-6H2,1H3;5H,1-3H3
InChIKeyAVPSZDSJKHGCHL-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 158993326
ethane;methylcyclohexane;dihydrate
CID 144526565
methylcyclohexane;phosphane;pentahydrochloride
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ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
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Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;2-methylpropan-2-ol?
The IUPAC name of methylcyclohexane;2-methylpropan-2-ol (CID 174648681) is methylcyclohexane;2-methylpropan-2-ol.
What is the SMILES notation for methylcyclohexane;2-methylpropan-2-ol?
The canonical SMILES for methylcyclohexane;2-methylpropan-2-ol is CC(C)(C)O.CC1CCCCC1.
What is the InChIKey of methylcyclohexane;2-methylpropan-2-ol?
The InChIKey is AVPSZDSJKHGCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C4H10O/c1-7-5-3-2-4-6-7;1-4(2,3)5/h7H,2-6H2,1H3;5H,1-3H3.
What are the key properties of methylcyclohexane;2-methylpropan-2-ol?
methylcyclohexane;2-methylpropan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;2-methylpropan-2-ol is sourced from PubChem (CID 174648681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).