1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one

C18H26O — CID 13180151

IUPAC1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one
SMILESCCC(=O)c1c(C(C)C)cc2c(c1C)CCC2(C)C
InChIInChI=1S/C18H26O/c1-7-16(19)17-12(4)13-8-9-18(5,6)15(13)10-14(17)11(2)3/h10-11H,7-9H2,1-6H3
InChIKeyIHSBKMBNDURWAT-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.93
Rot. Bonds3

About 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one

1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one (PubChem CID 13180151) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one
PubChem CID13180151
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one
SMILESCCC(=O)c1c(C(C)C)cc2c(c1C)CCC2(C)C
InChIInChI=1S/C18H26O/c1-7-16(19)17-12(4)13-8-9-18(5,6)15(13)10-14(17)11(2)3/h10-11H,7-9H2,1-6H3
InChIKeyIHSBKMBNDURWAT-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one 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-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one?
The IUPAC name of 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one (CID 13180151) is 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one.
What is the SMILES notation for 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one?
The canonical SMILES for 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one is CCC(=O)c1c(C(C)C)cc2c(c1C)CCC2(C)C.
What is the InChIKey of 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one?
The InChIKey is IHSBKMBNDURWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-7-16(19)17-12(4)13-8-9-18(5,6)15(13)10-14(17)11(2)3/h10-11H,7-9H2,1-6H3.
What are the key properties of 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one?
1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one has a molecular weight of 258.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,4-trimethyl-6-propan-2-yl-2,3-dihydroinden-5-yl)propan-1-one is sourced from PubChem (CID 13180151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).