(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate

C17H28O2 — CID 10038462

IUPAC(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate
SMILESCC(=O)OC1C(C)(C)CCCC12CC=C(C)CC2C
InChIInChI=1S/C17H28O2/c1-12-7-10-17(13(2)11-12)9-6-8-16(4,5)15(17)19-14(3)18/h7,13,15H,6,8-11H2,1-5H3
InChIKeyOOEDQCLPDCXMMC-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.49
Rot. Bonds1

About (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate

(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate (PubChem CID 10038462) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate.

Molecular Properties

Compound Name(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate
PubChem CID10038462
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate
SMILESCC(=O)OC1C(C)(C)CCCC12CC=C(C)CC2C
InChIInChI=1S/C17H28O2/c1-12-7-10-17(13(2)11-12)9-6-8-16(4,5)15(17)19-14(3)18/h7,13,15H,6,8-11H2,1-5H3
InChIKeyOOEDQCLPDCXMMC-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate?
The IUPAC name of (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate (CID 10038462) is (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate.
What is the SMILES notation for (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate?
The canonical SMILES for (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate is CC(=O)OC1C(C)(C)CCCC12CC=C(C)CC2C.
What is the InChIKey of (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate?
The InChIKey is OOEDQCLPDCXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12-7-10-17(13(2)11-12)9-6-8-16(4,5)15(17)19-14(3)18/h7,13,15H,6,8-11H2,1-5H3.
What are the key properties of (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate?
(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate has a molecular weight of 264.41 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate is sourced from PubChem (CID 10038462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).