cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol

C20H36O — CID 18640316

IUPACcis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol
SMILESCCC1CCC(C2CCC([C@H]3CCC[C@@H](O)C3)CC2)CC1
InChIInChI=1S/C20H36O/c1-2-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-4-3-5-20(21)14-19/h15-21H,2-14H2,1H3/t15?,16?,17?,18?,19-,20+/m0/s1
InChIKeyARULBCNHDGNDLF-OZFFSNAHSA-N
MW292.51 g/mol
LogP5.56
Rot. Bonds3

About cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol

cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol (PubChem CID 18640316) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol
PubChem CID18640316
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Namecis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol
SMILESCCC1CCC(C2CCC([C@H]3CCC[C@@H](O)C3)CC2)CC1
InChIInChI=1S/C20H36O/c1-2-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-4-3-5-20(21)14-19/h15-21H,2-14H2,1H3/t15?,16?,17?,18?,19-,20+/m0/s1
InChIKeyARULBCNHDGNDLF-OZFFSNAHSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol (CID 18640316) is cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol is CCC1CCC(C2CCC([C@H]3CCC[C@@H](O)C3)CC2)CC1.
What is the InChIKey of cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The InChIKey is ARULBCNHDGNDLF-OZFFSNAHSA-N. The full InChI is InChI=1S/C20H36O/c1-2-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-4-3-5-20(21)14-19/h15-21H,2-14H2,1H3/t15?,16?,17?,18?,19-,20+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol has a molecular weight of 292.51 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 18640316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).