3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene

C13H20 — CID 14294855

IUPAC3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene
SMILESCC1=CC=C2C(C)(C)CCCC12C
InChIInChI=1S/C13H20/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h6-7H,5,8-9H2,1-4H3
InChIKeyMREJDFVGHBTPDN-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds

About 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene

3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene (PubChem CID 14294855) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene.

Molecular Properties

Compound Name3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene
PubChem CID14294855
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene
SMILESCC1=CC=C2C(C)(C)CCCC12C
InChIInChI=1S/C13H20/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h6-7H,5,8-9H2,1-4H3
InChIKeyMREJDFVGHBTPDN-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene?
The IUPAC name of 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene (CID 14294855) is 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene.
What is the SMILES notation for 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene?
The canonical SMILES for 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene is CC1=CC=C2C(C)(C)CCCC12C.
What is the InChIKey of 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene?
The InChIKey is MREJDFVGHBTPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene?
3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene has a molecular weight of 176.30 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,7,7-tetramethyl-5,6-dihydro-4H-indene is sourced from PubChem (CID 14294855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).