(3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate

C17H26O2 — CID 122533437

IUPAC(3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC2)CCC2(CCCCC2)C1
InChIInChI=1S/C17H26O2/c1-13(2)15(18)19-17(14-6-7-14)11-10-16(12-17)8-4-3-5-9-16/h14H,1,3-12H2,2H3
InChIKeySXSYUMZYQFWVLZ-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.39
Rot. Bonds3

About (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate

(3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate (PubChem CID 122533437) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
PubChem CID122533437
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC2)CCC2(CCCCC2)C1
InChIInChI=1S/C17H26O2/c1-13(2)15(18)19-17(14-6-7-14)11-10-16(12-17)8-4-3-5-9-16/h14H,1,3-12H2,2H3
InChIKeySXSYUMZYQFWVLZ-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533336
(1-cyclohexyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533343
(4-cyclopropylspiro[4.5]decan-4-yl) 2-methylprop-2-enoate
CID 122533410
(1-cycloheptyl-4-oxocycloheptyl) 2-methylprop-2-enoate
CID 139903733
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 58734431
1-bicyclo[5.3.2]dodecanyl 2-methylprop-2-enoate
CID 164546575

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate (CID 122533437) is (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C2CC2)CCC2(CCCCC2)C1.
What is the InChIKey of (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate?
The InChIKey is SXSYUMZYQFWVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)15(18)19-17(14-6-7-14)11-10-16(12-17)8-4-3-5-9-16/h14H,1,3-12H2,2H3.
What are the key properties of (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate?
(3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate has a molecular weight of 262.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 122533437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).