[(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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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).