2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol

C16H28O — CID 112743634

IUPAC2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(O)C(C2CC2)C2CC2)CC1
InChIInChI=1S/C16H28O/c1-2-11-3-5-14(6-4-11)16(17)15(12-7-8-12)13-9-10-13/h11-17H,2-10H2,1H3
InChIKeyBPVBPJUWSHZVJT-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.00
Rot. Bonds5

About 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol

2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol (PubChem CID 112743634) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
PubChem CID112743634
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(O)C(C2CC2)C2CC2)CC1
InChIInChI=1S/C16H28O/c1-2-11-3-5-14(6-4-11)16(17)15(12-7-8-12)13-9-10-13/h11-17H,2-10H2,1H3
InChIKeyBPVBPJUWSHZVJT-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312537
1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 64748582
cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927
(4-ethylcyclohexyl)-methoxymethanol
CID 89033232
2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol
CID 116712860
2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol
CID 107443281
1-(4-ethylcyclohexyl)pent-4-en-1-ol
CID 65392687
cyclopropyl-(3-ethylcyclopentyl)methanol
CID 65411720
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
ethenol;ethylcyclopropane
CID 18331953

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol?
The IUPAC name of 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol (CID 112743634) is 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol.
What is the SMILES notation for 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol?
The canonical SMILES for 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol is CCC1CCC(C(O)C(C2CC2)C2CC2)CC1.
What is the InChIKey of 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol?
The InChIKey is BPVBPJUWSHZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-11-3-5-14(6-4-11)16(17)15(12-7-8-12)13-9-10-13/h11-17H,2-10H2,1H3.
What are the key properties of 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol?
2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol has a molecular weight of 236.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol is sourced from PubChem (CID 112743634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).