4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane

C16H28O2 — CID 100930786

IUPAC4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane
SMILESC=C(C)CCOC1(C)CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28O2/c1-14(2)7-11-17-15(3)10-12-18-16(13-15)8-5-4-6-9-16/h1,4-13H2,2-3H3
InChIKeyUMHHNSIIYDTAJV-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.24
Rot. Bonds4

About 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane

4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane (PubChem CID 100930786) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane
PubChem CID100930786
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane
SMILESC=C(C)CCOC1(C)CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28O2/c1-14(2)7-11-17-15(3)10-12-18-16(13-15)8-5-4-6-9-16/h1,4-13H2,2-3H3
InChIKeyUMHHNSIIYDTAJV-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Oxaspiro[5.5]undecane, 4-methylene-
CID 10899059
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
4-[2-[(1-Hydroxycyclohexyl)methyl]prop-2-enyl]oxan-4-ol
CID 21608136
2-Methyl-4-methylidene-1-oxaspiro[5.5]undecane
CID 5050874
2-Butyl-2-methyl-4-methylideneoxane
CID 12338273
2-Methyl-4-methylidene-2-(2-methylpropyl)oxane
CID 14435359
5-Tert-butyl-4-methylidene-1-oxaspiro[5.5]undecane
CID 20376179
2-Ethyl-2-(4-methylpent-4-enyl)oxane
CID 156519166
4-Methylidene-2,2-bis(2-methylpropyl)oxane
CID 164909397
2-Methyl-4-methylidene-2-propyloxane
CID 164909415
2-Hexyl-2-methyl-4-methylideneoxane
CID 164909426
2-Methyl-4-methylidene-2-pentyloxane
CID 164909438

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane (CID 100930786) is 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane is C=C(C)CCOC1(C)CCOC2(CCCCC2)C1.
What is the InChIKey of 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane?
The InChIKey is UMHHNSIIYDTAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-14(2)7-11-17-15(3)10-12-18-16(13-15)8-5-4-6-9-16/h1,4-13H2,2-3H3.
What are the key properties of 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane?
4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane has a molecular weight of 252.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 100930786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).