(4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate

C24H42O5 — CID 174359349

IUPAC(4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate
SMILESC=C(OOC(=O)OC1CCC(C(C)(C)C)CC1)OC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C24H42O5/c1-8-24(6,7)19-11-15-20(16-12-19)26-17(2)28-29-22(25)27-21-13-9-18(10-14-21)23(3,4)5/h18-21H,2,8-16H2,1,3-7H3
InChIKeyLWEAGESRRXEYHI-UHFFFAOYSA-N
MW410.60 g/mol
LogP7.16
Rot. Bonds7

About (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate

(4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate (PubChem CID 174359349) has the molecular formula C24H42O5 and a molecular weight of 410.60 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate
PubChem CID174359349
Molecular FormulaC24H42O5
Molecular Weight410.60 g/mol
Exact Mass410.30
IUPAC Name(4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate
SMILESC=C(OOC(=O)OC1CCC(C(C)(C)C)CC1)OC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C24H42O5/c1-8-24(6,7)19-11-15-20(16-12-19)26-17(2)28-29-22(25)27-21-13-9-18(10-14-21)23(3,4)5/h18-21H,2,8-16H2,1,3-7H3
InChIKeyLWEAGESRRXEYHI-UHFFFAOYSA-N
XLogP7.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate?
The IUPAC name of (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate (CID 174359349) is (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate?
The canonical SMILES for (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate is C=C(OOC(=O)OC1CCC(C(C)(C)C)CC1)OC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate?
The InChIKey is LWEAGESRRXEYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O5/c1-8-24(6,7)19-11-15-20(16-12-19)26-17(2)28-29-22(25)27-21-13-9-18(10-14-21)23(3,4)5/h18-21H,2,8-16H2,1,3-7H3.
What are the key properties of (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate?
(4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate has a molecular weight of 410.60 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 1-[4-(2-methylbutan-2-yl)cyclohexyl]oxyethenoxy carbonate is sourced from PubChem (CID 174359349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).