(5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate

C15H20O2 — CID 121484836

IUPAC(5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate
SMILESCCc1ccc2c(c1)CC(C)(COC(C)=O)C2
InChIInChI=1S/C15H20O2/c1-4-12-5-6-13-8-15(3,9-14(13)7-12)10-17-11(2)16/h5-7H,4,8-10H2,1-3H3
InChIKeyJRCRJWAVORPYTG-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.92
Rot. Bonds3

About (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate

(5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate (PubChem CID 121484836) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate
PubChem CID121484836
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate
SMILESCCc1ccc2c(c1)CC(C)(COC(C)=O)C2
InChIInChI=1S/C15H20O2/c1-4-12-5-6-13-8-15(3,9-14(13)7-12)10-17-11(2)16/h5-7H,4,8-10H2,1-3H3
InChIKeyJRCRJWAVORPYTG-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate?
The IUPAC name of (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate (CID 121484836) is (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate.
What is the SMILES notation for (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate?
The canonical SMILES for (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate is CCc1ccc2c(c1)CC(C)(COC(C)=O)C2.
What is the InChIKey of (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate?
The InChIKey is JRCRJWAVORPYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-12-5-6-13-8-15(3,9-14(13)7-12)10-17-11(2)16/h5-7H,4,8-10H2,1-3H3.
What are the key properties of (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate?
(5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate has a molecular weight of 232.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methyl-1,3-dihydroinden-2-yl)methyl acetate is sourced from PubChem (CID 121484836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).