3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane

C18H34O3 — CID 70943616

IUPAC3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane
SMILESCC(C)CC1(C)CCC2(CO1)COC(C)(CC(C)C)OC2
InChIInChI=1S/C18H34O3/c1-14(2)9-16(5)7-8-18(11-19-16)12-20-17(6,21-13-18)10-15(3)4/h14-15H,7-13H2,1-6H3
InChIKeyPVMVWUTZHXETHG-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.40
Rot. Bonds4

About 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane

3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane (PubChem CID 70943616) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane
PubChem CID70943616
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane
SMILESCC(C)CC1(C)CCC2(CO1)COC(C)(CC(C)C)OC2
InChIInChI=1S/C18H34O3/c1-14(2)9-16(5)7-8-18(11-19-16)12-20-17(6,21-13-18)10-15(3)4/h14-15H,7-13H2,1-6H3
InChIKeyPVMVWUTZHXETHG-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane?
The IUPAC name of 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane (CID 70943616) is 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane?
The canonical SMILES for 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane is CC(C)CC1(C)CCC2(CO1)COC(C)(CC(C)C)OC2.
What is the InChIKey of 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane?
The InChIKey is PVMVWUTZHXETHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-14(2)9-16(5)7-8-18(11-19-16)12-20-17(6,21-13-18)10-15(3)4/h14-15H,7-13H2,1-6H3.
What are the key properties of 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane?
3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane has a molecular weight of 298.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-3,9-bis(2-methylpropyl)-2,4,8-trioxaspiro[5.5]undecane is sourced from PubChem (CID 70943616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).