6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene

C14H24O2 — CID 162686826

IUPAC6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene
SMILESC=C(COCC)C1CC=C(C)C(OCC)C1
InChIInChI=1S/C14H24O2/c1-5-15-10-12(4)13-8-7-11(3)14(9-13)16-6-2/h7,13-14H,4-6,8-10H2,1-3H3
InChIKeyRKYPTOCCBCOHSI-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds6

About 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene

6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene (PubChem CID 162686826) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene.

Molecular Properties

Compound Name6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene
PubChem CID162686826
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene
SMILESC=C(COCC)C1CC=C(C)C(OCC)C1
InChIInChI=1S/C14H24O2/c1-5-15-10-12(4)13-8-7-11(3)14(9-13)16-6-2/h7,13-14H,4-6,8-10H2,1-3H3
InChIKeyRKYPTOCCBCOHSI-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene?
The IUPAC name of 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene (CID 162686826) is 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene.
What is the SMILES notation for 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene?
The canonical SMILES for 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene is C=C(COCC)C1CC=C(C)C(OCC)C1.
What is the InChIKey of 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene?
The InChIKey is RKYPTOCCBCOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-15-10-12(4)13-8-7-11(3)14(9-13)16-6-2/h7,13-14H,4-6,8-10H2,1-3H3.
What are the key properties of 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene?
6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene has a molecular weight of 224.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene is sourced from PubChem (CID 162686826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).