8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane

C17H30O — CID 129203148

IUPAC8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane
SMILESC=CC(C)(C)C(C)OC1CCC2(CCCC2)CC1
InChIInChI=1S/C17H30O/c1-5-16(3,4)14(2)18-15-8-12-17(13-9-15)10-6-7-11-17/h5,14-15H,1,6-13H2,2-4H3
InChIKeyVIXZDKCFCOACDP-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.11
Rot. Bonds4

About 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane

8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane (PubChem CID 129203148) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane.

Molecular Properties

Compound Name8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane
PubChem CID129203148
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane
SMILESC=CC(C)(C)C(C)OC1CCC2(CCCC2)CC1
InChIInChI=1S/C17H30O/c1-5-16(3,4)14(2)18-15-8-12-17(13-9-15)10-6-7-11-17/h5,14-15H,1,6-13H2,2-4H3
InChIKeyVIXZDKCFCOACDP-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
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 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane?
The IUPAC name of 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane (CID 129203148) is 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane.
What is the SMILES notation for 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane?
The canonical SMILES for 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane is C=CC(C)(C)C(C)OC1CCC2(CCCC2)CC1.
What is the InChIKey of 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane?
The InChIKey is VIXZDKCFCOACDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-5-16(3,4)14(2)18-15-8-12-17(13-9-15)10-6-7-11-17/h5,14-15H,1,6-13H2,2-4H3.
What are the key properties of 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane?
8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane has a molecular weight of 250.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylpent-4-en-2-yloxy)spiro[4.5]decane is sourced from PubChem (CID 129203148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).