1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene

C14H22 — CID 18366163

IUPAC1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene
SMILESCC1=C(C)C2=C(CC1)C(C)C(C)C2C
InChIInChI=1S/C14H22/c1-8-6-7-13-11(4)10(3)12(5)14(13)9(8)2/h10-12H,6-7H2,1-5H3
InChIKeyLOBGELDKWRUZPS-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene

1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene (PubChem CID 18366163) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Name1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene
PubChem CID18366163
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene
SMILESCC1=C(C)C2=C(CC1)C(C)C(C)C2C
InChIInChI=1S/C14H22/c1-8-6-7-13-11(4)10(3)12(5)14(13)9(8)2/h10-12H,6-7H2,1-5H3
InChIKeyLOBGELDKWRUZPS-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene (CID 18366163) is 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene is CC1=C(C)C2=C(CC1)C(C)C(C)C2C.
What is the InChIKey of 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is LOBGELDKWRUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-8-6-7-13-11(4)10(3)12(5)14(13)9(8)2/h10-12H,6-7H2,1-5H3.
What are the key properties of 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene?
1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7-pentamethyl-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 18366163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).