(1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene

C13H20O — CID 130220227

IUPAC(1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene
SMILESCOC1=C[C@H](C)C2=C1CC(C)(C)CC2
InChIInChI=1S/C13H20O/c1-9-7-12(14-4)11-8-13(2,3)6-5-10(9)11/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1
InChIKeyWFPIDHQHBNPGKF-VIFPVBQESA-N
MW192.30 g/mol
LogP3.67
Rot. Bonds1

About (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene

(1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene (PubChem CID 130220227) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene.

Molecular Properties

Compound Name(1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene
PubChem CID130220227
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene
SMILESCOC1=C[C@H](C)C2=C1CC(C)(C)CC2
InChIInChI=1S/C13H20O/c1-9-7-12(14-4)11-8-13(2,3)6-5-10(9)11/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1
InChIKeyWFPIDHQHBNPGKF-VIFPVBQESA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene?
The IUPAC name of (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene (CID 130220227) is (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene.
What is the SMILES notation for (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene?
The canonical SMILES for (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene is COC1=C[C@H](C)C2=C1CC(C)(C)CC2.
What is the InChIKey of (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene?
The InChIKey is WFPIDHQHBNPGKF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20O/c1-9-7-12(14-4)11-8-13(2,3)6-5-10(9)11/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1.
What are the key properties of (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene?
(1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene has a molecular weight of 192.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene is sourced from PubChem (CID 130220227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).