ethane;methyl formate;naphthalene

C14H18O2 — CID 91128100

IUPACethane;methyl formate;naphthalene
SMILESCC.COC=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H4O2.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-4-2-3;1-2/h1-8H;2H,1H3;1-2H3
InChIKeyJUJCRDNFUIRAFB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.66
Rot. Bonds1

About ethane;methyl formate;naphthalene

ethane;methyl formate;naphthalene (PubChem CID 91128100) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;methyl formate;naphthalene.

Molecular Properties

Compound Nameethane;methyl formate;naphthalene
PubChem CID91128100
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethane;methyl formate;naphthalene
SMILESCC.COC=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H4O2.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-4-2-3;1-2/h1-8H;2H,1H3;1-2H3
InChIKeyJUJCRDNFUIRAFB-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichlorobenzene;methyl formate
CID 162103259
methoxymethane;naphthalene
CID 90827145
ethane;naphthalene
CID 144512894
formyl formate;naphthalene;hydrobromide
CID 174587967
bromomethylbenzene;methyl formate
CID 170165460
tert-butylbenzene;methyl formate
CID 174802474
1H-indazole;methyl formate
CID 174916926
1-methoxyprop-1-ene;naphthalene
CID 91064977
2-benzothiophen-1-amine;methyl formate
CID 159726940
formic acid;naphthalene
CID 137353924
1,4-bis(bromomethyl)benzene;methyl formate
CID 174958128
1-(bromomethyl)-4-phenylbenzene;methyl formate
CID 175072951

Frequently Asked Questions

What is the IUPAC name of ethane;methyl formate;naphthalene?
The IUPAC name of ethane;methyl formate;naphthalene (CID 91128100) is ethane;methyl formate;naphthalene.
What is the SMILES notation for ethane;methyl formate;naphthalene?
The canonical SMILES for ethane;methyl formate;naphthalene is CC.COC=O.c1ccc2ccccc2c1.
What is the InChIKey of ethane;methyl formate;naphthalene?
The InChIKey is JUJCRDNFUIRAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C2H4O2.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-4-2-3;1-2/h1-8H;2H,1H3;1-2H3.
What are the key properties of ethane;methyl formate;naphthalene?
ethane;methyl formate;naphthalene has a molecular weight of 218.30 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl formate;naphthalene is sourced from PubChem (CID 91128100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).