(2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium

C16H23O2Y- — CID 58325682

IUPAC(2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium
SMILESC=[C-]C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.[Y]
InChIInChI=1S/C16H23O2.Y/c1-4-15(17)18-16(10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;/h10-14H,1,5-9H2,2-3H3;/q-1;
InChIKeyLXYYNZIPRAQBFA-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.37
Rot. Bonds3

About (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium

(2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium (PubChem CID 58325682) has the molecular formula C16H23O2Y- and a molecular weight of 336.26 g/mol. Its IUPAC name is (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium.

Molecular Properties

Compound Name(2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium
PubChem CID58325682
Molecular FormulaC16H23O2Y-
Molecular Weight336.26 g/mol
Exact Mass336.08
IUPAC Name(2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium
SMILESC=[C-]C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.[Y]
InChIInChI=1S/C16H23O2.Y/c1-4-15(17)18-16(10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;/h10-14H,1,5-9H2,2-3H3;/q-1;
InChIKeyLXYYNZIPRAQBFA-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-propan-2-yl-2-adamantyl) 2-methylbut-2-enoate
CID 162348120
(2-propan-2-yl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 126726910
1-[(2-propan-2-yl-2-adamantyl)oxy]prop-2-enylideneoxidanium
CID 161402913
(2-propan-2-yl-2-adamantyl) 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxy-2-methyloctanoate
CID 162347303
2-[(2-propan-2-yl-2-adamantyl)methyl]prop-2-enoic acid
CID 118451204
(5-methyl-2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 58734607
2-ethyladamantan-2-ol;2-propan-2-yladamantan-2-ol;prop-2-enoic acid
CID 174905992
(5-fluoro-2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 58734807
[4-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]phenyl]-diphenylsulfanium
CID 59602482
(3,5-dihydroxy-1-adamantyl) prop-2-enoate;yttrium
CID 58325681
[5-(2,2-difluoroacetyl)oxy-2-propan-2-yl-2-adamantyl] 2-methylprop-2-enoate
CID 88887731
(2-propan-2-yl-2-adamantyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283223

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium?
The IUPAC name of (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium (CID 58325682) is (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium.
What is the SMILES notation for (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium?
The canonical SMILES for (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium is C=[C-]C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.[Y].
What is the InChIKey of (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium?
The InChIKey is LXYYNZIPRAQBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O2.Y/c1-4-15(17)18-16(10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;/h10-14H,1,5-9H2,2-3H3;/q-1;.
What are the key properties of (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium?
(2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium has a molecular weight of 336.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-2-adamantyl) prop-2-enoate;yttrium is sourced from PubChem (CID 58325682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).