2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene

C15H24O — CID 142306702

IUPAC2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene
SMILESCOC1=CCCC2=C1CC(CC(C)(C)C)C2
InChIInChI=1S/C15H24O/c1-15(2,3)10-11-8-12-6-5-7-14(16-4)13(12)9-11/h7,11H,5-6,8-10H2,1-4H3
InChIKeyQHRMISFKGFSAQJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.45
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene

2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene (PubChem CID 142306702) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene
PubChem CID142306702
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene
SMILESCOC1=CCCC2=C1CC(CC(C)(C)C)C2
InChIInChI=1S/C15H24O/c1-15(2,3)10-11-8-12-6-5-7-14(16-4)13(12)9-11/h7,11H,5-6,8-10H2,1-4H3
InChIKeyQHRMISFKGFSAQJ-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene (CID 142306702) is 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene is COC1=CCCC2=C1CC(CC(C)(C)C)C2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is QHRMISFKGFSAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-15(2,3)10-11-8-12-6-5-7-14(16-4)13(12)9-11/h7,11H,5-6,8-10H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene?
2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 220.36 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-7-methoxy-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 142306702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).