(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate

C15H26O3 — CID 70520708

IUPAC(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate
SMILESCCC1=CCCC(C)(C)C1OC(=O)OCC(C)C
InChIInChI=1S/C15H26O3/c1-6-12-8-7-9-15(4,5)13(12)18-14(16)17-10-11(2)3/h8,11,13H,6-7,9-10H2,1-5H3
InChIKeyXUVVSEPTPZQENG-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.32
Rot. Bonds4

About (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate

(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate (PubChem CID 70520708) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate.

Molecular Properties

Compound Name(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate
PubChem CID70520708
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate
SMILESCCC1=CCCC(C)(C)C1OC(=O)OCC(C)C
InChIInChI=1S/C15H26O3/c1-6-12-8-7-9-15(4,5)13(12)18-14(16)17-10-11(2)3/h8,11,13H,6-7,9-10H2,1-5H3
InChIKeyXUVVSEPTPZQENG-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate?
The IUPAC name of (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate (CID 70520708) is (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate.
What is the SMILES notation for (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate?
The canonical SMILES for (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate is CCC1=CCCC(C)(C)C1OC(=O)OCC(C)C.
What is the InChIKey of (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate?
The InChIKey is XUVVSEPTPZQENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-12-8-7-9-15(4,5)13(12)18-14(16)17-10-11(2)3/h8,11,13H,6-7,9-10H2,1-5H3.
What are the key properties of (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate?
(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate has a molecular weight of 254.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) 2-methylpropyl carbonate is sourced from PubChem (CID 70520708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).