butan-2-ylcyclohexane;methanol

C11H24O — CID 91105162

IUPACbutan-2-ylcyclohexane;methanol
SMILESCCC(C)C1CCCCC1.CO
InChIInChI=1S/C10H20.CH4O/c1-3-9(2)10-7-5-4-6-8-10;1-2/h9-10H,3-8H2,1-2H3;2H,1H3
InChIKeyANTXQRGTBJJMFA-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds2

About butan-2-ylcyclohexane;methanol

butan-2-ylcyclohexane;methanol (PubChem CID 91105162) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is butan-2-ylcyclohexane;methanol.

Molecular Properties

Compound Namebutan-2-ylcyclohexane;methanol
PubChem CID91105162
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Namebutan-2-ylcyclohexane;methanol
SMILESCCC(C)C1CCCCC1.CO
InChIInChI=1S/C10H20.CH4O/c1-3-9(2)10-7-5-4-6-8-10;1-2/h9-10H,3-8H2,1-2H3;2H,1H3
InChIKeyANTXQRGTBJJMFA-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

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CID 53422897
Ethane;methanol;2-methylbutan-2-ylcyclohexane
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Ethanol;1-methyl-4-propan-2-ylcyclohexane
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Cyclohexylcyclohexane;ethanol
CID 67204391
Ethanol;propan-2-ylcyclohexane
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Propan-2-ylcyclohexane;hydrate
CID 67798751
Ethanol;propylcyclohexane
CID 68534544
Cyclohexylcyclohexane;methanol
CID 69725931
Methanol;1,1,2-trimethylcyclohexane
CID 70292509

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclohexane;methanol?
The IUPAC name of butan-2-ylcyclohexane;methanol (CID 91105162) is butan-2-ylcyclohexane;methanol.
What is the SMILES notation for butan-2-ylcyclohexane;methanol?
The canonical SMILES for butan-2-ylcyclohexane;methanol is CCC(C)C1CCCCC1.CO.
What is the InChIKey of butan-2-ylcyclohexane;methanol?
The InChIKey is ANTXQRGTBJJMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.CH4O/c1-3-9(2)10-7-5-4-6-8-10;1-2/h9-10H,3-8H2,1-2H3;2H,1H3.
What are the key properties of butan-2-ylcyclohexane;methanol?
butan-2-ylcyclohexane;methanol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclohexane;methanol is sourced from PubChem (CID 91105162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).