ethane;ethene;7-ethyl-1,8a-dihydronaphthalene

C16H24 — CID 142864033

IUPACethane;ethene;7-ethyl-1,8a-dihydronaphthalene
SMILESC=C.CC.CCC1=CC2CC=CC=C2C=C1
InChIInChI=1S/C12H14.C2H6.C2H4/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;2*1-2/h3-5,7-9,12H,2,6H2,1H3;1-2H3;1-2H2
InChIKeyLZWQBWKVOLLCIG-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.22
Rot. Bonds1

About ethane;ethene;7-ethyl-1,8a-dihydronaphthalene

ethane;ethene;7-ethyl-1,8a-dihydronaphthalene (PubChem CID 142864033) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is ethane;ethene;7-ethyl-1,8a-dihydronaphthalene.

Molecular Properties

Compound Nameethane;ethene;7-ethyl-1,8a-dihydronaphthalene
PubChem CID142864033
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Nameethane;ethene;7-ethyl-1,8a-dihydronaphthalene
SMILESC=C.CC.CCC1=CC2CC=CC=C2C=C1
InChIInChI=1S/C12H14.C2H6.C2H4/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;2*1-2/h3-5,7-9,12H,2,6H2,1H3;1-2H3;1-2H2
InChIKeyLZWQBWKVOLLCIG-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;ethene;7-ethyl-1,8a-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8a-dihydronaphthalene-2-thiol
CID 163854702
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
6-chloro-2-ethylcyclohexa-1,3-diene
CID 70372426
1,2,3,4,5,10a-hexahydroanthracene
CID 173432226
1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol
CID 163475465
3-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 123351089
(E)-N-[(2R)-3-(8,8a-dihydronaphthalen-2-yl)-1-[[(2R)-3-cyclohexa-2,4-dien-1-yl-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-5-amino-N,5-dimethylhex-2-enamide
CID 149165809
2-ethylcyclohexa-2,4-dien-1-amine
CID 123185856
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
8,8a-dihydronaphthalen-1-ol
CID 148551403
6-heptan-3-ylcyclohexa-1,3-diene-1-thiol
CID 166797315
3-[3-(methoxymethyl)-4a,5-dihydronaphthalen-2-yl]prop-2-ene-1-thiol
CID 123442025

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;7-ethyl-1,8a-dihydronaphthalene?
The IUPAC name of ethane;ethene;7-ethyl-1,8a-dihydronaphthalene (CID 142864033) is ethane;ethene;7-ethyl-1,8a-dihydronaphthalene.
What is the SMILES notation for ethane;ethene;7-ethyl-1,8a-dihydronaphthalene?
The canonical SMILES for ethane;ethene;7-ethyl-1,8a-dihydronaphthalene is C=C.CC.CCC1=CC2CC=CC=C2C=C1.
What is the InChIKey of ethane;ethene;7-ethyl-1,8a-dihydronaphthalene?
The InChIKey is LZWQBWKVOLLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C2H6.C2H4/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;2*1-2/h3-5,7-9,12H,2,6H2,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;7-ethyl-1,8a-dihydronaphthalene?
ethane;ethene;7-ethyl-1,8a-dihydronaphthalene has a molecular weight of 216.37 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;7-ethyl-1,8a-dihydronaphthalene is sourced from PubChem (CID 142864033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).