1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene

C17H30O — CID 123236062

IUPAC1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene
SMILESCOC1=CCCC2(CC1)C(CC(C)(C)C)C2(C)C
InChIInChI=1S/C17H30O/c1-15(2,3)12-14-16(4,5)17(14)10-7-8-13(18-6)9-11-17/h8,14H,7,9-12H2,1-6H3
InChIKeyUKHVKBCACSYDQK-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.17
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene

1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene (PubChem CID 123236062) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene
PubChem CID123236062
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene
SMILESCOC1=CCCC2(CC1)C(CC(C)(C)C)C2(C)C
InChIInChI=1S/C17H30O/c1-15(2,3)12-14-16(4,5)17(14)10-7-8-13(18-6)9-11-17/h8,14H,7,9-12H2,1-6H3
InChIKeyUKHVKBCACSYDQK-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene?
The IUPAC name of 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene (CID 123236062) is 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene is COC1=CCCC2(CC1)C(CC(C)(C)C)C2(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene?
The InChIKey is UKHVKBCACSYDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-15(2,3)12-14-16(4,5)17(14)10-7-8-13(18-6)9-11-17/h8,14H,7,9-12H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene?
1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene has a molecular weight of 250.43 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-7-methoxy-2,2-dimethylspiro[2.6]non-6-ene is sourced from PubChem (CID 123236062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).