ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate

C22H30O2 — CID 70223410

IUPACethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate
SMILESCCOC(=O)C=CC1CC1c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H30O2/c1-6-24-20(23)10-8-15-13-17(15)16-7-9-18-19(14-16)22(4,5)12-11-21(18,2)3/h7-10,14-15,17H,6,11-13H2,1-5H3
InChIKeyGUVYFNCWJSDIQY-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.26
Rot. Bonds4

About ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate

ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate (PubChem CID 70223410) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate
PubChem CID70223410
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Nameethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate
SMILESCCOC(=O)C=CC1CC1c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H30O2/c1-6-24-20(23)10-8-15-13-17(15)16-7-9-18-19(14-16)22(4,5)12-11-21(18,2)3/h7-10,14-15,17H,6,11-13H2,1-5H3
InChIKeyGUVYFNCWJSDIQY-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.26
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 ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate?
The IUPAC name of ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate (CID 70223410) is ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate is CCOC(=O)C=CC1CC1c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate?
The InChIKey is GUVYFNCWJSDIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-6-24-20(23)10-8-15-13-17(15)16-7-9-18-19(14-16)22(4,5)12-11-21(18,2)3/h7-10,14-15,17H,6,11-13H2,1-5H3.
What are the key properties of ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate?
ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate has a molecular weight of 326.48 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]prop-2-enoate is sourced from PubChem (CID 70223410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).