ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate

C28H34O2 — CID 70183425

IUPACethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(C2(c3ccc4c(c3)C(C)(C)CCC4(C)C)CC2)c1
InChIInChI=1S/C28H34O2/c1-6-30-25(29)13-10-20-8-7-9-21(18-20)28(16-17-28)22-11-12-23-24(19-22)27(4,5)15-14-26(23,2)3/h7-13,18-19H,6,14-17H2,1-5H3
InChIKeyHCMAWKMVIFGJAF-UHFFFAOYSA-N
MW402.58 g/mol
LogP6.69
Rot. Bonds5

About ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate

ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate (PubChem CID 70183425) has the molecular formula C28H34O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate
PubChem CID70183425
Molecular FormulaC28H34O2
Molecular Weight402.58 g/mol
Exact Mass402.26
IUPAC Nameethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(C2(c3ccc4c(c3)C(C)(C)CCC4(C)C)CC2)c1
InChIInChI=1S/C28H34O2/c1-6-30-25(29)13-10-20-8-7-9-21(18-20)28(16-17-28)22-11-12-23-24(19-22)27(4,5)15-14-26(23,2)3/h7-13,18-19H,6,14-17H2,1-5H3
InChIKeyHCMAWKMVIFGJAF-UHFFFAOYSA-N
XLogP6.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]phenyl]prop-2-enoate
CID 70183813
ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]prop-2-enoate
CID 70183438
ethyl 3-[3-methyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1-benzofuran-6-yl]prop-2-enoate
CID 54110737
ethyl 3-[3-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]phenyl]prop-2-enoate
CID 70183802
ethyl 3-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]prop-2-enoate
CID 76629815
methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
CID 123594241
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
ethyl (E)-3-[2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]phenyl]prop-2-enoate
CID 21185883
ethyl (Z)-3-(3-bromophenyl)prop-2-enoate
CID 124561754
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate (CID 70183425) is ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate is CCOC(=O)C=Cc1cccc(C2(c3ccc4c(c3)C(C)(C)CCC4(C)C)CC2)c1.
What is the InChIKey of ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate?
The InChIKey is HCMAWKMVIFGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O2/c1-6-30-25(29)13-10-20-8-7-9-21(18-20)28(16-17-28)22-11-12-23-24(19-22)27(4,5)15-14-26(23,2)3/h7-13,18-19H,6,14-17H2,1-5H3.
What are the key properties of ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate?
ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate has a molecular weight of 402.58 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate is sourced from PubChem (CID 70183425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).