ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate

C18H18O2 — CID 170797038

IUPACethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H18O2/c1-2-20-17(19)8-4-5-13-9-10-15-12-11-14-6-3-7-16(13)18(14)15/h3-7,9-10H,2,8,11-12H2,1H3
InChIKeyVROLGQRPPMXSIK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.90
Rot. Bonds4

About ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate

ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate (PubChem CID 170797038) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
PubChem CID170797038
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H18O2/c1-2-20-17(19)8-4-5-13-9-10-15-12-11-14-6-3-7-16(13)18(14)15/h3-7,9-10H,2,8,11-12H2,1H3
InChIKeyVROLGQRPPMXSIK-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170501790
N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
CID 169466362
S-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl] ethanethioate
CID 169458118
ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate
CID 54022973
5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169476332
methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate
CID 169479674
ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
ethyl 4-(2-acetamidophenyl)but-3-enoate
CID 170796592
ethyl 4-(2-amino-4-methylphenyl)but-3-enoate
CID 170795846
ethyl 4-(2-chloro-3-fluorophenyl)but-3-enoate
CID 170795687
ethyl 4-(2-amino-4-hydroxyphenyl)but-3-enoate
CID 170795886
5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169462599

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate?
The IUPAC name of ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate (CID 170797038) is ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate.
What is the SMILES notation for ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate?
The canonical SMILES for ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate is CCOC(=O)CC=Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate?
The InChIKey is VROLGQRPPMXSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-20-17(19)8-4-5-13-9-10-15-12-11-14-6-3-7-16(13)18(14)15/h3-7,9-10H,2,8,11-12H2,1H3.
What are the key properties of ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate?
ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate is sourced from PubChem (CID 170797038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).