trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane

C19H32S — CID 70811809

IUPACtrimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane
SMILESCCCC1c2ccccc2C(C(C)(C)S(C)(C)C)C1C
InChIInChI=1S/C19H32S/c1-8-11-15-14(2)18(19(3,4)20(5,6)7)17-13-10-9-12-16(15)17/h9-10,12-15,18H,8,11H2,1-7H3
InChIKeyMNBAJVQGZXZSIF-UHFFFAOYSA-N
MW292.53 g/mol
LogP5.78
Rot. Bonds4

About trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane

trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane (PubChem CID 70811809) has the molecular formula C19H32S and a molecular weight of 292.53 g/mol. Its IUPAC name is trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane
PubChem CID70811809
Molecular FormulaC19H32S
Molecular Weight292.53 g/mol
Exact Mass292.22
IUPAC Nametrimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane
SMILESCCCC1c2ccccc2C(C(C)(C)S(C)(C)C)C1C
InChIInChI=1S/C19H32S/c1-8-11-15-14(2)18(19(3,4)20(5,6)7)17-13-10-9-12-16(15)17/h9-10,12-15,18H,8,11H2,1-7H3
InChIKeyMNBAJVQGZXZSIF-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.53
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane?
The IUPAC name of trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane (CID 70811809) is trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane?
The canonical SMILES for trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane is CCCC1c2ccccc2C(C(C)(C)S(C)(C)C)C1C.
What is the InChIKey of trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane?
The InChIKey is MNBAJVQGZXZSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32S/c1-8-11-15-14(2)18(19(3,4)20(5,6)7)17-13-10-9-12-16(15)17/h9-10,12-15,18H,8,11H2,1-7H3.
What are the key properties of trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane?
trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane has a molecular weight of 292.53 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methyl-3-propyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]-λ4-sulfane is sourced from PubChem (CID 70811809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).