8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane

C16H28O2 — CID 557370

IUPAC8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane
SMILESC=CCC1COC2(CC(C)CCC2C(C)C)OC1
InChIInChI=1S/C16H28O2/c1-5-6-14-10-17-16(18-11-14)9-13(4)7-8-15(16)12(2)3/h5,12-15H,1,6-11H2,2-4H3
InChIKeyOJEVBAFAONNGSJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.01
Rot. Bonds3

About 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane

8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane (PubChem CID 557370) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane
PubChem CID557370
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane
SMILESC=CCC1COC2(CC(C)CCC2C(C)C)OC1
InChIInChI=1S/C16H28O2/c1-5-6-14-10-17-16(18-11-14)9-13(4)7-8-15(16)12(2)3/h5,12-15H,1,6-11H2,2-4H3
InChIKeyOJEVBAFAONNGSJ-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.01
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 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane?
The IUPAC name of 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane (CID 557370) is 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane.
What is the SMILES notation for 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane?
The canonical SMILES for 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane is C=CCC1COC2(CC(C)CCC2C(C)C)OC1.
What is the InChIKey of 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane?
The InChIKey is OJEVBAFAONNGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-5-6-14-10-17-16(18-11-14)9-13(4)7-8-15(16)12(2)3/h5,12-15H,1,6-11H2,2-4H3.
What are the key properties of 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane?
8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane has a molecular weight of 252.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-propan-2-yl-3-prop-2-enyl-1,5-dioxaspiro[5.5]undecane is sourced from PubChem (CID 557370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).