[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol

C23H42O2 — CID 70829322

IUPAC[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
SMILESCCCC1CCC(C2CCC(CCC3CCC(CO)CC3)OC2)CC1
InChIInChI=1S/C23H42O2/c1-2-3-18-8-11-21(12-9-18)22-13-15-23(25-17-22)14-10-19-4-6-20(16-24)7-5-19/h18-24H,2-17H2,1H3
InChIKeyKWVHMTLKOCJPRU-UHFFFAOYSA-N
MW350.59 g/mol
LogP5.97
Rot. Bonds7

About [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol

[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol (PubChem CID 70829322) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
PubChem CID70829322
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Name[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
SMILESCCCC1CCC(C2CCC(CCC3CCC(CO)CC3)OC2)CC1
InChIInChI=1S/C23H42O2/c1-2-3-18-8-11-21(12-9-18)22-13-15-23(25-17-22)14-10-19-4-6-20(16-24)7-5-19/h18-24H,2-17H2,1H3
InChIKeyKWVHMTLKOCJPRU-UHFFFAOYSA-N
XLogP5.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol with MolForge

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Related Compounds

5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620448
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
CID 58620462
2,5-dipropyloxane
CID 118909754
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane
CID 58620696
3-(4-propylcyclohexyl)oxane
CID 150771088
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane
CID 123343356
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
[(4S)-4-propyloxolan-2-yl]methanol
CID 145357706
(4-propyloxolan-2-yl)methanol
CID 130129945
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347

Frequently Asked Questions

What is the IUPAC name of [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol?
The IUPAC name of [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol (CID 70829322) is [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol?
The canonical SMILES for [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol is CCCC1CCC(C2CCC(CCC3CCC(CO)CC3)OC2)CC1.
What is the InChIKey of [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol?
The InChIKey is KWVHMTLKOCJPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2/c1-2-3-18-8-11-21(12-9-18)22-13-15-23(25-17-22)14-10-19-4-6-20(16-24)7-5-19/h18-24H,2-17H2,1H3.
What are the key properties of [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol?
[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol has a molecular weight of 350.59 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol is sourced from PubChem (CID 70829322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).