1-adamantylmethyl ethenyl carbonate

C14H20O3 — CID 70305959

IUPAC1-adamantylmethyl ethenyl carbonate
SMILESC=COC(=O)OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20O3/c1-2-16-13(15)17-9-14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,1,3-9H2
InChIKeyZQFIYVZPVPHWAY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.50
Rot. Bonds3

About 1-adamantylmethyl ethenyl carbonate

1-adamantylmethyl ethenyl carbonate (PubChem CID 70305959) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-adamantylmethyl ethenyl carbonate.

Molecular Properties

Compound Name1-adamantylmethyl ethenyl carbonate
PubChem CID70305959
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-adamantylmethyl ethenyl carbonate
SMILESC=COC(=O)OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20O3/c1-2-16-13(15)17-9-14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,1,3-9H2
InChIKeyZQFIYVZPVPHWAY-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(1-adamantylmethoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58106029
1-adamantylmethyl 2-bromo-2-methylpropanoate
CID 102412153
2-(1-adamantylmethoxycarbonyloxy)-1,1-difluoroethanesulfonic acid
CID 88879168
adamantane;ethenyl methyl carbonate
CID 22116710
1-adamantylmethyl 2-fluoro-2-methylpropanoate
CID 59602420
1-adamantylmethyl 2-chloro-2-methylpropanoate
CID 169075793
1-adamantylmethyl 2-(2-chloroacetyl)oxyacetate
CID 58106016
(4-amino-1-adamantyl)methyl carbamate
CID 53261740
4-O-(1-adamantylmethyl) 1-O-decyl (E)-but-2-enedioate
CID 91715193
4-O-(1-adamantylmethyl) 1-O-dodecyl (E)-but-2-enedioate
CID 91715181
[1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate
CID 155152412
1-adamantylmethyl 2-cyclohexyloxyacetate
CID 159978550

Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethyl ethenyl carbonate?
The IUPAC name of 1-adamantylmethyl ethenyl carbonate (CID 70305959) is 1-adamantylmethyl ethenyl carbonate.
What is the SMILES notation for 1-adamantylmethyl ethenyl carbonate?
The canonical SMILES for 1-adamantylmethyl ethenyl carbonate is C=COC(=O)OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylmethyl ethenyl carbonate?
The InChIKey is ZQFIYVZPVPHWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-16-13(15)17-9-14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,1,3-9H2.
What are the key properties of 1-adamantylmethyl ethenyl carbonate?
1-adamantylmethyl ethenyl carbonate has a molecular weight of 236.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethyl ethenyl carbonate is sourced from PubChem (CID 70305959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).