(1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate

C16H18O3 — CID 57412858

IUPAC(1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=Cc2ccccc2C1C(C)C
InChIInChI=1S/C16H18O3/c1-4-9-18-16(17)19-14-10-12-7-5-6-8-13(12)15(14)11(2)3/h4-8,10-11,15H,1,9H2,2-3H3
InChIKeyBAZJYPYDPAWZDQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.12
Rot. Bonds4

About (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate

(1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate (PubChem CID 57412858) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate
PubChem CID57412858
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=Cc2ccccc2C1C(C)C
InChIInChI=1S/C16H18O3/c1-4-9-18-16(17)19-14-10-12-7-5-6-8-13(12)15(14)11(2)3/h4-8,10-11,15H,1,9H2,2-3H3
InChIKeyBAZJYPYDPAWZDQ-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate?
The IUPAC name of (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate (CID 57412858) is (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate.
What is the SMILES notation for (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate?
The canonical SMILES for (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1=Cc2ccccc2C1C(C)C.
What is the InChIKey of (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate?
The InChIKey is BAZJYPYDPAWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-4-9-18-16(17)19-14-10-12-7-5-6-8-13(12)15(14)11(2)3/h4-8,10-11,15H,1,9H2,2-3H3.
What are the key properties of (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate?
(1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate has a molecular weight of 258.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-1H-inden-2-yl) prop-2-enyl carbonate is sourced from PubChem (CID 57412858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).