propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate

C15H24O3 — CID 175151411

IUPACpropan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate
SMILESCCOC1C=CC=CC1(C(=O)OC(C)C)C(C)C
InChIInChI=1S/C15H24O3/c1-6-17-13-9-7-8-10-15(13,11(2)3)14(16)18-12(4)5/h7-13H,6H2,1-5H3
InChIKeyKTNAVRIEJXYTQB-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.11
Rot. Bonds5

About propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate

propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate (PubChem CID 175151411) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate
PubChem CID175151411
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namepropan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate
SMILESCCOC1C=CC=CC1(C(=O)OC(C)C)C(C)C
InChIInChI=1S/C15H24O3/c1-6-17-13-9-7-8-10-15(13,11(2)3)14(16)18-12(4)5/h7-13H,6H2,1-5H3
InChIKeyKTNAVRIEJXYTQB-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate (CID 175151411) is propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate is CCOC1C=CC=CC1(C(=O)OC(C)C)C(C)C.
What is the InChIKey of propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate?
The InChIKey is KTNAVRIEJXYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-17-13-9-7-8-10-15(13,11(2)3)14(16)18-12(4)5/h7-13H,6H2,1-5H3.
What are the key properties of propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate?
propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate has a molecular weight of 252.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-ethoxy-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 175151411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).