2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid

C17H28O2 — CID 138634112

IUPAC2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid
SMILESCC1C=CCC(C)C12CCCC(C)(C)C2CC(=O)O
InChIInChI=1S/C17H28O2/c1-12-7-5-8-13(2)17(12)10-6-9-16(3,4)14(17)11-15(18)19/h5,7,12-14H,6,8-11H2,1-4H3,(H,18,19)
InChIKeyRDVSAVMAHRKHTD-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.51
Rot. Bonds2

About 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid

2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid (PubChem CID 138634112) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid
PubChem CID138634112
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid
SMILESCC1C=CCC(C)C12CCCC(C)(C)C2CC(=O)O
InChIInChI=1S/C17H28O2/c1-12-7-5-8-13(2)17(12)10-6-9-16(3,4)14(17)11-15(18)19/h5,7,12-14H,6,8-11H2,1-4H3,(H,18,19)
InChIKeyRDVSAVMAHRKHTD-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid?
The IUPAC name of 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid (CID 138634112) is 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid.
What is the SMILES notation for 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid?
The canonical SMILES for 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid is CC1C=CCC(C)C12CCCC(C)(C)C2CC(=O)O.
What is the InChIKey of 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid?
The InChIKey is RDVSAVMAHRKHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12-7-5-8-13(2)17(12)10-6-9-16(3,4)14(17)11-15(18)19/h5,7,12-14H,6,8-11H2,1-4H3,(H,18,19).
What are the key properties of 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid?
2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid has a molecular weight of 264.41 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5,10,10-tetramethylspiro[5.5]undec-3-en-11-yl)acetic acid is sourced from PubChem (CID 138634112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).