ethane;3-methylidene-2H-naphthalene

C13H16 — CID 144558774

IUPACethane;3-methylidene-2H-naphthalene
SMILESC=C1C=c2ccccc2=CC1.CC
InChIInChI=1S/C11H10.C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2/h2-5,7-8H,1,6H2;1-2H3
InChIKeyOUIBMGNLUVQCAC-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds

About ethane;3-methylidene-2H-naphthalene

ethane;3-methylidene-2H-naphthalene (PubChem CID 144558774) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;3-methylidene-2H-naphthalene.

Molecular Properties

Compound Nameethane;3-methylidene-2H-naphthalene
PubChem CID144558774
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Nameethane;3-methylidene-2H-naphthalene
SMILESC=C1C=c2ccccc2=CC1.CC
InChIInChI=1S/C11H10.C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2/h2-5,7-8H,1,6H2;1-2H3
InChIKeyOUIBMGNLUVQCAC-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6,7-dimethyl-8H-benzo[7]annulene
CID 142504411
1-methyl-2H-indene
CID 59944755
4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene
CID 54208249
3-butylidene-2H-naphthalene
CID 141091658
2,3-dihydronaphthalene;methane
CID 142417654
6-(3H-naphthalen-2-ylidene)hexa-2,4-dienoic acid
CID 173312991
(1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]
CID 142293371
2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene
CID 173332911
ethane;2-methylidene-1,3-dihydroindene
CID 90790754
6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane
CID 145149614
CID 176954791
CID 176954791
4-methyl-3-methylidene-2-phenyloxolane
CID 102507227

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-2H-naphthalene?
The IUPAC name of ethane;3-methylidene-2H-naphthalene (CID 144558774) is ethane;3-methylidene-2H-naphthalene.
What is the SMILES notation for ethane;3-methylidene-2H-naphthalene?
The canonical SMILES for ethane;3-methylidene-2H-naphthalene is C=C1C=c2ccccc2=CC1.CC.
What is the InChIKey of ethane;3-methylidene-2H-naphthalene?
The InChIKey is OUIBMGNLUVQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2/h2-5,7-8H,1,6H2;1-2H3.
What are the key properties of ethane;3-methylidene-2H-naphthalene?
ethane;3-methylidene-2H-naphthalene has a molecular weight of 172.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-2H-naphthalene is sourced from PubChem (CID 144558774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).