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

C14H22O — CID 130220815

IUPAC(1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene
SMILESCCOC1=C[C@H](C)C2=C1CC(C)(C)CC2
InChIInChI=1S/C14H22O/c1-5-15-13-8-10(2)11-6-7-14(3,4)9-12(11)13/h8,10H,5-7,9H2,1-4H3/t10-/m0/s1
InChIKeyVHGPLMAUYYUOAX-JTQLQIEISA-N
MW206.33 g/mol
LogP4.06
Rot. Bonds2

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

(1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene (PubChem CID 130220815) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene.

Molecular Properties

Compound Name(1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene
PubChem CID130220815
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene
SMILESCCOC1=C[C@H](C)C2=C1CC(C)(C)CC2
InChIInChI=1S/C14H22O/c1-5-15-13-8-10(2)11-6-7-14(3,4)9-12(11)13/h8,10H,5-7,9H2,1-4H3/t10-/m0/s1
InChIKeyVHGPLMAUYYUOAX-JTQLQIEISA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene?
The IUPAC name of (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene (CID 130220815) is (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene.
What is the SMILES notation for (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene?
The canonical SMILES for (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene is CCOC1=C[C@H](C)C2=C1CC(C)(C)CC2.
What is the InChIKey of (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene?
The InChIKey is VHGPLMAUYYUOAX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22O/c1-5-15-13-8-10(2)11-6-7-14(3,4)9-12(11)13/h8,10H,5-7,9H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene?
(1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene has a molecular weight of 206.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-ethoxy-1,5,5-trimethyl-1,4,6,7-tetrahydroindene is sourced from PubChem (CID 130220815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).