adamantane;bis(2-methylprop-2-enoic acid)

C18H28O4 — CID 146540937

IUPACadamantane;bis(2-methylprop-2-enoic acid)
SMILESC1C2CC3CC1CC(C2)C3.C=C(C)C(=O)O.C=C(C)C(=O)O
InChIInChI=1S/C10H16.2C4H6O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-3(2)4(5)6/h7-10H,1-6H2;2*1H2,2H3,(H,5,6)
InChIKeyXPKJKUUVTJQZRC-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.13
Rot. Bonds2

About adamantane;bis(2-methylprop-2-enoic acid)

adamantane;bis(2-methylprop-2-enoic acid) (PubChem CID 146540937) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is adamantane;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Nameadamantane;bis(2-methylprop-2-enoic acid)
PubChem CID146540937
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Nameadamantane;bis(2-methylprop-2-enoic acid)
SMILESC1C2CC3CC1CC(C2)C3.C=C(C)C(=O)O.C=C(C)C(=O)O
InChIInChI=1S/C10H16.2C4H6O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-3(2)4(5)6/h7-10H,1-6H2;2*1H2,2H3,(H,5,6)
InChIKeyXPKJKUUVTJQZRC-UHFFFAOYSA-N
XLogP4.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;2-methylprop-2-enoic acid
CID 66795649
adamantane-1,3-diol;2-methylprop-2-enoic acid
CID 53445274
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)
CID 68927057
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566

Frequently Asked Questions

What is the IUPAC name of adamantane;bis(2-methylprop-2-enoic acid)?
The IUPAC name of adamantane;bis(2-methylprop-2-enoic acid) (CID 146540937) is adamantane;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for adamantane;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for adamantane;bis(2-methylprop-2-enoic acid) is C1C2CC3CC1CC(C2)C3.C=C(C)C(=O)O.C=C(C)C(=O)O.
What is the InChIKey of adamantane;bis(2-methylprop-2-enoic acid)?
The InChIKey is XPKJKUUVTJQZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C4H6O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-3(2)4(5)6/h7-10H,1-6H2;2*1H2,2H3,(H,5,6).
What are the key properties of adamantane;bis(2-methylprop-2-enoic acid)?
adamantane;bis(2-methylprop-2-enoic acid) has a molecular weight of 308.42 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 146540937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).