2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate

C18H24O2 — CID 89474757

IUPAC2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCc2ccc(C)cc2C1
InChIInChI=1S/C18H24O2/c1-12(2)17(19)20-18(4,5)16-9-8-14-7-6-13(3)10-15(14)11-16/h6-7,10,16H,1,8-9,11H2,2-5H3
InChIKeyNORXIRWFACZGSP-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.00
Rot. Bonds3

About 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate

2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 89474757) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate
PubChem CID89474757
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCc2ccc(C)cc2C1
InChIInChI=1S/C18H24O2/c1-12(2)17(19)20-18(4,5)16-9-8-14-7-6-13(3)10-15(14)11-16/h6-7,10,16H,1,8-9,11H2,2-5H3
InChIKeyNORXIRWFACZGSP-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate (CID 89474757) is 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCc2ccc(C)cc2C1.
What is the InChIKey of 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is NORXIRWFACZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-12(2)17(19)20-18(4,5)16-9-8-14-7-6-13(3)10-15(14)11-16/h6-7,10,16H,1,8-9,11H2,2-5H3.
What are the key properties of 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate?
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 272.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 89474757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).