[1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate

C18H18O2 — CID 170440641

IUPAC[1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1=CC=C2C=CC=C(/C=C\C)C2C1=C
InChIInChI=1S/C18H18O2/c1-4-7-14-8-6-9-15-10-11-16(13(3)18(14)15)12-20-17(19)5-2/h4-11,18H,2-3,12H2,1H3/b7-4-
InChIKeyKIXSEHWQOFCYNZ-DAXSKMNVSA-N
MW266.34 g/mol
LogP3.83
Rot. Bonds4

About [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate

[1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate (PubChem CID 170440641) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate
PubChem CID170440641
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1=CC=C2C=CC=C(/C=C\C)C2C1=C
InChIInChI=1S/C18H18O2/c1-4-7-14-8-6-9-15-10-11-16(13(3)18(14)15)12-20-17(19)5-2/h4-11,18H,2-3,12H2,1H3/b7-4-
InChIKeyKIXSEHWQOFCYNZ-DAXSKMNVSA-N
XLogP3.83
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 ≤ 53.83
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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Related Compounds

2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
[(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate
CID 58462686
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate
CID 141202995
furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
(4-methylsulfanylphenyl)methyl prop-2-enoate
CID 171485836
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
[(E)-2-oxopent-3-enyl] prop-2-enoate
CID 141312744
[3-[(trimethyl-λ4-sulfanyl)methyl]phenyl]methyl prop-2-enoate
CID 138480975
[(5Z)-5-(bromomethylidene)-2-oxothiophen-3-yl]methyl prop-2-enoate
CID 67293519
3-[3,6,11-tripentoxy-7,10-bis(3-prop-2-enoyloxypropoxy)triphenylen-2-yl]oxypropyl prop-2-enoate
CID 18931805
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010

Frequently Asked Questions

What is the IUPAC name of [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate?
The IUPAC name of [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate (CID 170440641) is [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate.
What is the SMILES notation for [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate?
The canonical SMILES for [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate is C=CC(=O)OCC1=CC=C2C=CC=C(/C=C\C)C2C1=C.
What is the InChIKey of [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate?
The InChIKey is KIXSEHWQOFCYNZ-DAXSKMNVSA-N. The full InChI is InChI=1S/C18H18O2/c1-4-7-14-8-6-9-15-10-11-16(13(3)18(14)15)12-20-17(19)5-2/h4-11,18H,2-3,12H2,1H3/b7-4-.
What are the key properties of [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate?
[1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate is sourced from PubChem (CID 170440641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).