4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate

C55H76N2O7 — CID 159428529

IUPAC4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate
SMILESC.COC(=O)C1CN(Cc2ccc3cc(O)ccc3c2)C1.COC(=O)C1CN(Cc2ccc3cc(OC4CCC(C5CCCC5)CC4)ccc3c2)C1.OC1CCC(C2CCCC2)CC1
InChIInChI=1S/C27H35NO3.C16H17NO3.C11H20O.CH4/c1-30-27(29)24-17-28(18-24)16-19-6-7-23-15-26(13-10-22(23)14-19)31-25-11-8-21(9-12-25)20-4-2-3-5-20;1-20-16(19)14-9-17(10-14)8-11-2-3-13-7-15(18)5-4-12(13)6-11;12-11-7-5-10(6-8-11)9-3-1-2-4-9;/h6-7,10,13-15,20-21,24-25H,2-5,8-9,11-12,16-18H2,1H3;2-7,14,18H,8-10H2,1H3;9-12H,1-8H2;1H4
InChIKeyLQRKZBTYOXJZMS-UHFFFAOYSA-N
MW877.22 g/mol
LogP11.09
Rot. Bonds10

About 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate

4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate (PubChem CID 159428529) has the molecular formula C55H76N2O7 and a molecular weight of 877.22 g/mol. Its IUPAC name is 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate.

Molecular Properties

Compound Name4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate
PubChem CID159428529
Molecular FormulaC55H76N2O7
Molecular Weight877.22 g/mol
Exact Mass876.57
IUPAC Name4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate
SMILESC.COC(=O)C1CN(Cc2ccc3cc(O)ccc3c2)C1.COC(=O)C1CN(Cc2ccc3cc(OC4CCC(C5CCCC5)CC4)ccc3c2)C1.OC1CCC(C2CCCC2)CC1
InChIInChI=1S/C27H35NO3.C16H17NO3.C11H20O.CH4/c1-30-27(29)24-17-28(18-24)16-19-6-7-23-15-26(13-10-22(23)14-19)31-25-11-8-21(9-12-25)20-4-2-3-5-20;1-20-16(19)14-9-17(10-14)8-11-2-3-13-7-15(18)5-4-12(13)6-11;12-11-7-5-10(6-8-11)9-3-1-2-4-9;/h6-7,10,13-15,20-21,24-25H,2-5,8-9,11-12,16-18H2,1H3;2-7,14,18H,8-10H2,1H3;9-12H,1-8H2;1H4
InChIKeyLQRKZBTYOXJZMS-UHFFFAOYSA-N
XLogP11.09
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.22
LogP ≤ 511.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate with MolForge

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Related Compounds

methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate
CID 66926452
3-cyclohexyl-1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine
CID 154133558
3-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidin-3-yl]cyclohexane-1-carboxylic acid;methyl 3-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidin-3-yl]cyclohexane-1-carboxylate
CID 159092343
1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]pyrrolidine-3-carboxylic acid;methane;methyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]pyrrolidine-3-carboxylate
CID 159481087
cis-(1R,3S)-3-[1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidin-3-yl]cyclohexane-1-carboxylic acid
CID 129407122
methyl 9-[[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-9-azabicyclo[3.3.1]nonane-3-carboxylate
CID 90051393
ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766
4-tert-butylcyclohexan-1-ol;methyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-2,2,2-trifluoroethyl]piperidine-4-carboxylate;methyl 1-[2,2,2-trifluoro-1-(6-hydroxynaphthalen-2-yl)ethyl]piperidine-4-carboxylate
CID 161360437
ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020
1-[[6-[4-(methoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
CID 141348697
methyl 3-[3-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-yl]cyclopentyl]cyclohexane-1-carboxylate
CID 123385958
1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]-3-(3-methylperoxycyclohexyl)azetidine
CID 144562450

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate?
The IUPAC name of 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate (CID 159428529) is 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate.
What is the SMILES notation for 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate?
The canonical SMILES for 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate is C.COC(=O)C1CN(Cc2ccc3cc(O)ccc3c2)C1.COC(=O)C1CN(Cc2ccc3cc(OC4CCC(C5CCCC5)CC4)ccc3c2)C1.OC1CCC(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate?
The InChIKey is LQRKZBTYOXJZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO3.C16H17NO3.C11H20O.CH4/c1-30-27(29)24-17-28(18-24)16-19-6-7-23-15-26(13-10-22(23)14-19)31-25-11-8-21(9-12-25)20-4-2-3-5-20;1-20-16(19)14-9-17(10-14)8-11-2-3-13-7-15(18)5-4-12(13)6-11;12-11-7-5-10(6-8-11)9-3-1-2-4-9;/h6-7,10,13-15,20-21,24-25H,2-5,8-9,11-12,16-18H2,1H3;2-7,14,18H,8-10H2,1H3;9-12H,1-8H2;1H4.
What are the key properties of 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate?
4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate has a molecular weight of 877.22 g/mol, XLogP of 11.09, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylcyclohexan-1-ol;methane;methyl 1-[[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate;methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate is sourced from PubChem (CID 159428529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).