buta-2,3-dienyl adamantane-1-carboxylate

C15H20O2 — CID 91801361

IUPACbuta-2,3-dienyl adamantane-1-carboxylate
SMILESC=C=CCOC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20O2/c1-2-3-4-17-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h3,11-13H,1,4-10H2
InChIKeyOOVKZDMWEVUZKL-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.09
Rot. Bonds3

About buta-2,3-dienyl adamantane-1-carboxylate

buta-2,3-dienyl adamantane-1-carboxylate (PubChem CID 91801361) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is buta-2,3-dienyl adamantane-1-carboxylate.

Molecular Properties

Compound Namebuta-2,3-dienyl adamantane-1-carboxylate
PubChem CID91801361
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namebuta-2,3-dienyl adamantane-1-carboxylate
SMILESC=C=CCOC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20O2/c1-2-3-4-17-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h3,11-13H,1,4-10H2
InChIKeyOOVKZDMWEVUZKL-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] adamantane-1-carboxylate
CID 18757373
4-(adamantane-1-carbonyloxy)-2,2-difluorobutanoic acid
CID 170225372
[(2R)-oxiran-2-yl]methyl adamantane-1-carboxylate
CID 915609
(2-bromo-2,2-difluoroethyl) adamantane-1-carboxylate
CID 59185161
3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate
CID 58122770
2-(1-formyloxyethoxy)ethyl adamantane-1-carboxylate
CID 21083076
5-bromopentyl adamantane-1-carboxylate
CID 102110457
[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4534845
tridecyl adamantane-1-carboxylate
CID 585445
[3-methyl-3-(2-methylprop-2-enoyloxy)butyl] adamantane-1-carboxylate
CID 59637731
[3-(2-aminoprop-2-enoyloxy)-3-methylbutyl] adamantane-1-carboxylate
CID 163877430
2-(2-bromo-2,2-difluoroacetyl)oxyethyl adamantane-1-carboxylate
CID 164579755

Frequently Asked Questions

What is the IUPAC name of buta-2,3-dienyl adamantane-1-carboxylate?
The IUPAC name of buta-2,3-dienyl adamantane-1-carboxylate (CID 91801361) is buta-2,3-dienyl adamantane-1-carboxylate.
What is the SMILES notation for buta-2,3-dienyl adamantane-1-carboxylate?
The canonical SMILES for buta-2,3-dienyl adamantane-1-carboxylate is C=C=CCOC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of buta-2,3-dienyl adamantane-1-carboxylate?
The InChIKey is OOVKZDMWEVUZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-4-17-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h3,11-13H,1,4-10H2.
What are the key properties of buta-2,3-dienyl adamantane-1-carboxylate?
buta-2,3-dienyl adamantane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-dienyl adamantane-1-carboxylate is sourced from PubChem (CID 91801361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).