1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone

C18H26O — CID 20522451

IUPAC1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone
SMILESCCc1cc2c(cc1C(C)=O)C(C(C)C)CC2(C)C
InChIInChI=1S/C18H26O/c1-7-13-8-17-15(9-14(13)12(4)19)16(11(2)3)10-18(17,5)6/h8-9,11,16H,7,10H2,1-6H3
InChIKeyFLPCBDPUJASNKZ-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.87
Rot. Bonds3

About 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone

1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone (PubChem CID 20522451) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone
PubChem CID20522451
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone
SMILESCCc1cc2c(cc1C(C)=O)C(C(C)C)CC2(C)C
InChIInChI=1S/C18H26O/c1-7-13-8-17-15(9-14(13)12(4)19)16(11(2)3)10-18(17,5)6/h8-9,11,16H,7,10H2,1-6H3
InChIKeyFLPCBDPUJASNKZ-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone?
The IUPAC name of 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone (CID 20522451) is 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone.
What is the SMILES notation for 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone?
The canonical SMILES for 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone is CCc1cc2c(cc1C(C)=O)C(C(C)C)CC2(C)C.
What is the InChIKey of 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone?
The InChIKey is FLPCBDPUJASNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-7-13-8-17-15(9-14(13)12(4)19)16(11(2)3)10-18(17,5)6/h8-9,11,16H,7,10H2,1-6H3.
What are the key properties of 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone?
1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone has a molecular weight of 258.40 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,1-dimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone is sourced from PubChem (CID 20522451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).