1-(3-ethenoxyprop-1-enyl)adamantane

C15H22O — CID 174430537

IUPAC1-(3-ethenoxyprop-1-enyl)adamantane
SMILESC=COCC=CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22O/c1-2-16-5-3-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h2-4,12-14H,1,5-11H2
InChIKeyNAUOXYCXKQSOSJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.92
Rot. Bonds4

About 1-(3-ethenoxyprop-1-enyl)adamantane

1-(3-ethenoxyprop-1-enyl)adamantane (PubChem CID 174430537) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3-ethenoxyprop-1-enyl)adamantane.

Molecular Properties

Compound Name1-(3-ethenoxyprop-1-enyl)adamantane
PubChem CID174430537
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(3-ethenoxyprop-1-enyl)adamantane
SMILESC=COCC=CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22O/c1-2-16-5-3-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h2-4,12-14H,1,5-11H2
InChIKeyNAUOXYCXKQSOSJ-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 15129445
CID 15129445
1-bromo-3-ethenoxyprop-1-ene
CID 174651295
1-ethenoxybut-2-ene
CID 54206132
3-(ethenoxymethyl)adamantan-1-ol
CID 134309633
1-adamantylmethyl ethenyl carbonate
CID 70305959
1-prop-2-enyladamantane
CID 10954060
[2-(ethenoxymethyl)-2-adamantyl]methanol
CID 71815626
4-[2-(1-adamantyl)ethenoxy]-4-oxobutanoic acid
CID 139900291
1-[4-(1-adamantyl)buta-1,2,3-trienyl]adamantane
CID 102260769
1-(1-adamantyloxy)prop-2-en-1-ol
CID 126575826
1-hepta-1,6-dien-4-yloxyadamantane
CID 67157600
bis(1-adamantyl)-prop-2-enylphosphane
CID 11633204

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenoxyprop-1-enyl)adamantane?
The IUPAC name of 1-(3-ethenoxyprop-1-enyl)adamantane (CID 174430537) is 1-(3-ethenoxyprop-1-enyl)adamantane.
What is the SMILES notation for 1-(3-ethenoxyprop-1-enyl)adamantane?
The canonical SMILES for 1-(3-ethenoxyprop-1-enyl)adamantane is C=COCC=CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(3-ethenoxyprop-1-enyl)adamantane?
The InChIKey is NAUOXYCXKQSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-16-5-3-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h2-4,12-14H,1,5-11H2.
What are the key properties of 1-(3-ethenoxyprop-1-enyl)adamantane?
1-(3-ethenoxyprop-1-enyl)adamantane has a molecular weight of 218.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenoxyprop-1-enyl)adamantane is sourced from PubChem (CID 174430537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).