1-ethenyl-3-ethyladamantane

C14H22 — CID 595127

IUPAC1-ethenyl-3-ethyladamantane
SMILESC=CC12CC3CC(C1)CC(CC)(C3)C2
InChIInChI=1S/C14H22/c1-3-13-6-11-5-12(7-13)9-14(4-2,8-11)10-13/h3,11-12H,1,4-10H2,2H3
InChIKeyAVRIJUMTHPONKV-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds2

About 1-ethenyl-3-ethyladamantane

1-ethenyl-3-ethyladamantane (PubChem CID 595127) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-ethenyl-3-ethyladamantane.

Molecular Properties

Compound Name1-ethenyl-3-ethyladamantane
PubChem CID595127
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-ethenyl-3-ethyladamantane
SMILESC=CC12CC3CC(C1)CC(CC)(C3)C2
InChIInChI=1S/C14H22/c1-3-13-6-11-5-12(7-13)9-14(4-2,8-11)10-13/h3,11-12H,1,4-10H2,2H3
InChIKeyAVRIJUMTHPONKV-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Vinyladamantane
CID 570934
1-Isopropenyladamantane
CID 2776059
(E)-1-(Prop-1-en-1-yl)adamantane
CID 5368548
1-Allyladamantane
CID 10954060
2,2-Divinyladamantane
CID 15359287
1-[(Z)-1,2-difluoroethenyl]adamantane
CID 12634321
trans-1-(1-Adamantyl)propene
CID 563090
2-Ethenylideneadamantane
CID 12263203
1-[(E)-3,3-dimethylbut-1-enyl]adamantane
CID 12701266
1,3,5,7-Tetraethenyladamantane
CID 13024226
1-(1-Adamantyl)-2-methyl-propene
CID 13086466
1-(But-1-en-2-yl)adamantane
CID 13086467

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethyladamantane?
The IUPAC name of 1-ethenyl-3-ethyladamantane (CID 595127) is 1-ethenyl-3-ethyladamantane.
What is the SMILES notation for 1-ethenyl-3-ethyladamantane?
The canonical SMILES for 1-ethenyl-3-ethyladamantane is C=CC12CC3CC(C1)CC(CC)(C3)C2.
What is the InChIKey of 1-ethenyl-3-ethyladamantane?
The InChIKey is AVRIJUMTHPONKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-13-6-11-5-12(7-13)9-14(4-2,8-11)10-13/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 1-ethenyl-3-ethyladamantane?
1-ethenyl-3-ethyladamantane has a molecular weight of 190.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethyladamantane is sourced from PubChem (CID 595127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).