2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane

C21H32O — CID 143275864

IUPAC2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane
SMILESC=Cc1c(C)cc2ccccc2c1COC.CCC.CCC
InChIInChI=1S/C15H16O.2C3H8/c1-4-13-11(2)9-12-7-5-6-8-14(12)15(13)10-16-3;2*1-3-2/h4-9H,1,10H2,2-3H3;2*3H2,1-2H3
InChIKeyOIQGMYXTYGNPSW-UHFFFAOYSA-N
MW300.49 g/mol
LogP6.77
Rot. Bonds3

About 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane

2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane (PubChem CID 143275864) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane.

Molecular Properties

Compound Name2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane
PubChem CID143275864
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane
SMILESC=Cc1c(C)cc2ccccc2c1COC.CCC.CCC
InChIInChI=1S/C15H16O.2C3H8/c1-4-13-11(2)9-12-7-5-6-8-14(12)15(13)10-16-3;2*1-3-2/h4-9H,1,10H2,2-3H3;2*3H2,1-2H3
InChIKeyOIQGMYXTYGNPSW-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-ethenyl-3-methylnaphthalene
CID 67126076
diethoxysilane;9-(methoxymethyl)anthracene
CID 173247688
(2-ethenyl-3-ethylnaphthalen-1-yl)methanol
CID 143952474
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
1-[4-(4-butan-2-ylphenyl)-3-methylbutyl]-2-ethenyl-3-methylnaphthalene
CID 143952423
1-ethenyl-2-methylphenanthrene
CID 18927842
9-(methoxymethyl)-10-methylanthracene
CID 12579234
9-(methoxymethyl)phenanthrene
CID 15557052
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404
9-(2-ethoxyethoxymethyl)anthracene
CID 22345017
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
1-ethenylnaphthalene;propane
CID 90732485

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane?
The IUPAC name of 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane (CID 143275864) is 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane.
What is the SMILES notation for 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane?
The canonical SMILES for 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane is C=Cc1c(C)cc2ccccc2c1COC.CCC.CCC.
What is the InChIKey of 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane?
The InChIKey is OIQGMYXTYGNPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.2C3H8/c1-4-13-11(2)9-12-7-5-6-8-14(12)15(13)10-16-3;2*1-3-2/h4-9H,1,10H2,2-3H3;2*3H2,1-2H3.
What are the key properties of 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane?
2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane has a molecular weight of 300.49 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane is sourced from PubChem (CID 143275864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).