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

C14H22O3 — CID 70561964

IUPAC(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1C(CC)=CCCC1(C)C
InChIInChI=1S/C14H22O3/c1-5-10-16-13(15)17-12-11(6-2)8-7-9-14(12,3)4/h5,8,12H,1,6-7,9-10H2,2-4H3
InChIKeyRKPRUEPTSJWPDM-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.85
Rot. Bonds4

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

(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate (PubChem CID 70561964) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate
PubChem CID70561964
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1C(CC)=CCCC1(C)C
InChIInChI=1S/C14H22O3/c1-5-10-16-13(15)17-12-11(6-2)8-7-9-14(12,3)4/h5,8,12H,1,6-7,9-10H2,2-4H3
InChIKeyRKPRUEPTSJWPDM-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.85
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) prop-2-enyl carbonate?
The IUPAC name of (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate (CID 70561964) is (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate.
What is the SMILES notation for (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate?
The canonical SMILES for (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1C(CC)=CCCC1(C)C.
What is the InChIKey of (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate?
The InChIKey is RKPRUEPTSJWPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-10-16-13(15)17-12-11(6-2)8-7-9-14(12,3)4/h5,8,12H,1,6-7,9-10H2,2-4H3.
What are the key properties of (2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate?
(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl) prop-2-enyl carbonate has a molecular weight of 238.33 g/mol, XLogP of 3.85, 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) prop-2-enyl carbonate is sourced from PubChem (CID 70561964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).