2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol

C17H30O2 — CID 142914627

IUPAC2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol
SMILESCC1CCC(CCC2CC3OC2CC3CCO)CC1
InChIInChI=1S/C17H30O2/c1-12-2-4-13(5-3-12)6-7-14-10-17-15(8-9-18)11-16(14)19-17/h12-18H,2-11H2,1H3
InChIKeyVIHDGFHRKODCOI-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.77
Rot. Bonds5

About 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol

2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol (PubChem CID 142914627) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol
PubChem CID142914627
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol
SMILESCC1CCC(CCC2CC3OC2CC3CCO)CC1
InChIInChI=1S/C17H30O2/c1-12-2-4-13(5-3-12)6-7-14-10-17-15(8-9-18)11-16(14)19-17/h12-18H,2-11H2,1H3
InChIKeyVIHDGFHRKODCOI-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol with MolForge

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Related Compounds

2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
CID 59931224
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
1-methyl-4-propylcycloheptane
CID 90967653
2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol
CID 118147189
2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147264
2-[2-(4-methylcyclohexyl)ethyl]oxirane
CID 58971302
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
CID 20632302
CID 20632302
4-methyl-8-oxabicyclo[5.1.0]octane
CID 45120447

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol?
The IUPAC name of 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol (CID 142914627) is 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol is CC1CCC(CCC2CC3OC2CC3CCO)CC1.
What is the InChIKey of 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol?
The InChIKey is VIHDGFHRKODCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-12-2-4-13(5-3-12)6-7-14-10-17-15(8-9-18)11-16(14)19-17/h12-18H,2-11H2,1H3.
What are the key properties of 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol?
2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol has a molecular weight of 266.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol is sourced from PubChem (CID 142914627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).