cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate

C26H32O7 — CID 19886916

IUPACcyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate
SMILESCCOc1cc(OC(=O)OC2CCCCC2)c2ccccc2c1OC(=O)OC1CCCCC1
InChIInChI=1S/C26H32O7/c1-2-29-23-17-22(32-25(27)30-18-11-5-3-6-12-18)20-15-9-10-16-21(20)24(23)33-26(28)31-19-13-7-4-8-14-19/h9-10,15-19H,2-8,11-14H2,1H3
InChIKeyYVRDWHDIOMZSMY-UHFFFAOYSA-N
MW456.54 g/mol
LogP6.93
Rot. Bonds6

About cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate

cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate (PubChem CID 19886916) has the molecular formula C26H32O7 and a molecular weight of 456.54 g/mol. Its IUPAC name is cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate.

Molecular Properties

Compound Namecyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate
PubChem CID19886916
Molecular FormulaC26H32O7
Molecular Weight456.54 g/mol
Exact Mass456.21
IUPAC Namecyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate
SMILESCCOc1cc(OC(=O)OC2CCCCC2)c2ccccc2c1OC(=O)OC1CCCCC1
InChIInChI=1S/C26H32O7/c1-2-29-23-17-22(32-25(27)30-18-11-5-3-6-12-18)20-15-9-10-16-21(20)24(23)33-26(28)31-19-13-7-4-8-14-19/h9-10,15-19H,2-8,11-14H2,1H3
InChIKeyYVRDWHDIOMZSMY-UHFFFAOYSA-N
XLogP6.93
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl (4-cyclohexyloxycarbonyloxy-2,3-diethoxynaphthalen-1-yl) carbonate
CID 19886830
cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751
cyclopentyl (2-phenylphenyl) carbonate
CID 121311469
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
CID 19886837
[4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate
CID 19886806
1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
CID 39375404
cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate
CID 155659985
(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate
CID 19873102
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
[2-[carbonochloridoyloxy(chloro)methyl]phenyl] cyclopentyl carbonate
CID 58234730

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate?
The IUPAC name of cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate (CID 19886916) is cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate.
What is the SMILES notation for cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate?
The canonical SMILES for cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate is CCOc1cc(OC(=O)OC2CCCCC2)c2ccccc2c1OC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate?
The InChIKey is YVRDWHDIOMZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O7/c1-2-29-23-17-22(32-25(27)30-18-11-5-3-6-12-18)20-15-9-10-16-21(20)24(23)33-26(28)31-19-13-7-4-8-14-19/h9-10,15-19H,2-8,11-14H2,1H3.
What are the key properties of cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate?
cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate has a molecular weight of 456.54 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate is sourced from PubChem (CID 19886916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).