(1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene

C17H28O2 — CID 102149758

IUPAC(1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene
SMILESCC[C@@H]1C2=C(C)CC(COC)(COC)CC2=CC1C
InChIInChI=1S/C17H28O2/c1-6-15-12(2)7-14-9-17(10-18-4,11-19-5)8-13(3)16(14)15/h7,12,15H,6,8-11H2,1-5H3/t12?,15-/m0/s1
InChIKeySASMMLRFZGQONG-CVRLYYSRSA-N
MW264.41 g/mol
LogP3.98
Rot. Bonds5

About (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene

(1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene (PubChem CID 102149758) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene.

Molecular Properties

Compound Name(1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene
PubChem CID102149758
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene
SMILESCC[C@@H]1C2=C(C)CC(COC)(COC)CC2=CC1C
InChIInChI=1S/C17H28O2/c1-6-15-12(2)7-14-9-17(10-18-4,11-19-5)8-13(3)16(14)15/h7,12,15H,6,8-11H2,1-5H3/t12?,15-/m0/s1
InChIKeySASMMLRFZGQONG-CVRLYYSRSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene?
The IUPAC name of (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene (CID 102149758) is (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene.
What is the SMILES notation for (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene?
The canonical SMILES for (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene is CC[C@@H]1C2=C(C)CC(COC)(COC)CC2=CC1C.
What is the InChIKey of (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene?
The InChIKey is SASMMLRFZGQONG-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-15-12(2)7-14-9-17(10-18-4,11-19-5)8-13(3)16(14)15/h7,12,15H,6,8-11H2,1-5H3/t12?,15-/m0/s1.
What are the key properties of (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene?
(1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene has a molecular weight of 264.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene is sourced from PubChem (CID 102149758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).