trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol

C15H28O — CID 59055193

IUPACtrans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol
SMILESCCC1CCC([C@@H]2CC[C@@H](C)C(O)C2)CC1
InChIInChI=1S/C15H28O/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(16)10-14/h11-16H,3-10H2,1-2H3/t11-,12?,13?,14-,15?/m1/s1
InChIKeyQFQBXCWZZWFMAI-PMNGPLLRSA-N
MW224.39 g/mol
LogP4.00
Rot. Bonds2

About trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol

trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol (PubChem CID 59055193) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol
PubChem CID59055193
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Nametrans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol
SMILESCCC1CCC([C@@H]2CC[C@@H](C)C(O)C2)CC1
InChIInChI=1S/C15H28O/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(16)10-14/h11-16H,3-10H2,1-2H3/t11-,12?,13?,14-,15?/m1/s1
InChIKeyQFQBXCWZZWFMAI-PMNGPLLRSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
6-(4-ethylcyclohexyl)-1,7-dimethyl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552213
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol
CID 140611297
(3-ethylcyclopentyl)cyclohexane
CID 142208206
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
(1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 59100166

Frequently Asked Questions

What is the IUPAC name of trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol?
The IUPAC name of trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol (CID 59055193) is trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol?
The canonical SMILES for trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol is CCC1CCC([C@@H]2CC[C@@H](C)C(O)C2)CC1.
What is the InChIKey of trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol?
The InChIKey is QFQBXCWZZWFMAI-PMNGPLLRSA-N. The full InChI is InChI=1S/C15H28O/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(16)10-14/h11-16H,3-10H2,1-2H3/t11-,12?,13?,14-,15?/m1/s1.
What are the key properties of trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol?
trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 59055193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).