2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane

C17H26O4 — CID 67176936

IUPAC2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.C=C(C)C(=O)O.C=CC(=O)O
InChIInChI=1S/C10H16.C4H6O2.C3H4O2/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-3(2)4(5)6;1-2-3(4)5/h7-10H,1-6H2;1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyFRNSJHSHZLFMPQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.74
Rot. Bonds2

About 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane

2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane (PubChem CID 67176936) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane
PubChem CID67176936
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.C=C(C)C(=O)O.C=CC(=O)O
InChIInChI=1S/C10H16.C4H6O2.C3H4O2/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-3(2)4(5)6;1-2-3(4)5/h7-10H,1-6H2;1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyFRNSJHSHZLFMPQ-UHFFFAOYSA-N
XLogP3.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.74
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-1,4-diol;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 66888079
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
2-methylprop-2-enoic acid;prop-2-enoic acid;silylsilane
CID 173358641
2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid
CID 174765174
methylcyclobutane;2-methylprop-2-enoic acid
CID 68582164
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
bicyclo[3.1.0]hexane;2-oxopropanoic acid
CID 174962132

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane?
The IUPAC name of 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane (CID 67176936) is 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.C=C(C)C(=O)O.C=CC(=O)O.
What is the InChIKey of 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane?
The InChIKey is FRNSJHSHZLFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C4H6O2.C3H4O2/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-3(2)4(5)6;1-2-3(4)5/h7-10H,1-6H2;1H2,2H3,(H,5,6);2H,1H2,(H,4,5).
What are the key properties of 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane?
2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane has a molecular weight of 294.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 67176936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).