ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol

C14H30O2 — CID 70452729

IUPACethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol
SMILESCC1C(C)(C)CCC(C)(C)C1(C)O.CCO
InChIInChI=1S/C12H24O.C2H6O/c1-9-10(2,3)7-8-11(4,5)12(9,6)13;1-2-3/h9,13H,7-8H2,1-6H3;3H,2H2,1H3
InChIKeyORHHGWPLGSMXGY-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.22
Rot. Bonds

About ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol

ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol (PubChem CID 70452729) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol.

Molecular Properties

Compound Nameethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol
PubChem CID70452729
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Nameethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol
SMILESCC1C(C)(C)CCC(C)(C)C1(C)O.CCO
InChIInChI=1S/C12H24O.C2H6O/c1-9-10(2,3)7-8-11(4,5)12(9,6)13;1-2-3/h9,13H,7-8H2,1-6H3;3H,2H2,1H3
InChIKeyORHHGWPLGSMXGY-UHFFFAOYSA-N
XLogP3.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol?
The IUPAC name of ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol (CID 70452729) is ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol.
What is the SMILES notation for ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol?
The canonical SMILES for ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol is CC1C(C)(C)CCC(C)(C)C1(C)O.CCO.
What is the InChIKey of ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol?
The InChIKey is ORHHGWPLGSMXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C2H6O/c1-9-10(2,3)7-8-11(4,5)12(9,6)13;1-2-3/h9,13H,7-8H2,1-6H3;3H,2H2,1H3.
What are the key properties of ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol?
ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 3.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol is sourced from PubChem (CID 70452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).