ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene

C14H22 — CID 142400897

IUPACethane;1,4,6-trimethyl-2,3-dihydro-1H-indene
SMILESCC.Cc1cc(C)c2c(c1)C(C)CC2
InChIInChI=1S/C12H16.C2H6/c1-8-6-10(3)11-5-4-9(2)12(11)7-8;1-2/h6-7,9H,4-5H2,1-3H3;1-2H3
InChIKeyWNQSOEHWKQTPSI-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.38
Rot. Bonds

About ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene

ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene (PubChem CID 142400897) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Nameethane;1,4,6-trimethyl-2,3-dihydro-1H-indene
PubChem CID142400897
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameethane;1,4,6-trimethyl-2,3-dihydro-1H-indene
SMILESCC.Cc1cc(C)c2c(c1)C(C)CC2
InChIInChI=1S/C12H16.C2H6/c1-8-6-10(3)11-5-4-9(2)12(11)7-8;1-2/h6-7,9H,4-5H2,1-3H3;1-2H3
InChIKeyWNQSOEHWKQTPSI-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene?
The IUPAC name of ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene (CID 142400897) is ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene is CC.Cc1cc(C)c2c(c1)C(C)CC2.
What is the InChIKey of ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene?
The InChIKey is WNQSOEHWKQTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C2H6/c1-8-6-10(3)11-5-4-9(2)12(11)7-8;1-2/h6-7,9H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene?
ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene has a molecular weight of 190.33 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 142400897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).