methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate

C17H28O2 — CID 14817844

IUPACmethyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate
SMILESCOC(=O)CC1CCCC2=C1C(C)(C)C(C)C2(C)C
InChIInChI=1S/C17H28O2/c1-11-16(2,3)13-9-7-8-12(10-14(18)19-6)15(13)17(11,4)5/h11-12H,7-10H2,1-6H3
InChIKeyLVJIWPRWUFRMLU-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.35
Rot. Bonds2

About methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate

methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate (PubChem CID 14817844) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate
PubChem CID14817844
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namemethyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate
SMILESCOC(=O)CC1CCCC2=C1C(C)(C)C(C)C2(C)C
InChIInChI=1S/C17H28O2/c1-11-16(2,3)13-9-7-8-12(10-14(18)19-6)15(13)17(11,4)5/h11-12H,7-10H2,1-6H3
InChIKeyLVJIWPRWUFRMLU-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate?
The IUPAC name of methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate (CID 14817844) is methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate.
What is the SMILES notation for methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate?
The canonical SMILES for methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate is COC(=O)CC1CCCC2=C1C(C)(C)C(C)C2(C)C.
What is the InChIKey of methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate?
The InChIKey is LVJIWPRWUFRMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-11-16(2,3)13-9-7-8-12(10-14(18)19-6)15(13)17(11,4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate?
methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate has a molecular weight of 264.41 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)acetate is sourced from PubChem (CID 14817844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).