[(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol

C13H24O — CID 131124005

IUPAC[(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol
SMILESCC[C@@H]1C[C@H]1C(O)C1CCC(C)CC1
InChIInChI=1S/C13H24O/c1-3-10-8-12(10)13(14)11-6-4-9(2)5-7-11/h9-14H,3-8H2,1-2H3/t9?,10-,11?,12-,13?/m1/s1
InChIKeyHVWATTMQEJAVAU-BOHLEWGESA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds3

About [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol

[(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol (PubChem CID 131124005) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name[(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol
PubChem CID131124005
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name[(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol
SMILESCC[C@@H]1C[C@H]1C(O)C1CCC(C)CC1
InChIInChI=1S/C13H24O/c1-3-10-8-12(10)13(14)11-6-4-9(2)5-7-11/h9-14H,3-8H2,1-2H3/t9?,10-,11?,12-,13?/m1/s1
InChIKeyHVWATTMQEJAVAU-BOHLEWGESA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-(2-ethylcyclohexyl)methanol
CID 63861825
(2-ethyl-5-methylcyclohexyl)methanediol
CID 123561469
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
(2-ethylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65420824
(2-ethylcyclohexyl)-(5-methyloxolan-3-yl)methanol
CID 115801768
(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol
CID 123819677
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
cyclopropyl-(3-ethylcyclopentyl)methanol
CID 65411720
(4-methylcyclohexyl)-piperidin-4-ylmethanol
CID 80560052
3-(4-methylcyclohexyl)pentan-2-ol
CID 79422150
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
amino-(4-methylcyclohexyl)methanol
CID 89201512

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol?
The IUPAC name of [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol (CID 131124005) is [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol.
What is the SMILES notation for [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol?
The canonical SMILES for [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol is CC[C@@H]1C[C@H]1C(O)C1CCC(C)CC1.
What is the InChIKey of [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol?
The InChIKey is HVWATTMQEJAVAU-BOHLEWGESA-N. The full InChI is InChI=1S/C13H24O/c1-3-10-8-12(10)13(14)11-6-4-9(2)5-7-11/h9-14H,3-8H2,1-2H3/t9?,10-,11?,12-,13?/m1/s1.
What are the key properties of [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol?
[(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 131124005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).