5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane

C19H36O2 — CID 20766407

IUPAC5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane
SMILESCC(C)CC1OC(C)CC1CCC1OC(C)CC1C(C)C
InChIInChI=1S/C19H36O2/c1-12(2)9-19-16(10-14(5)21-19)7-8-18-17(13(3)4)11-15(6)20-18/h12-19H,7-11H2,1-6H3
InChIKeyIANFARKJEWWHAI-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.06
Rot. Bonds6

About 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane

5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane (PubChem CID 20766407) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane.

Molecular Properties

Compound Name5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane
PubChem CID20766407
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane
SMILESCC(C)CC1OC(C)CC1CCC1OC(C)CC1C(C)C
InChIInChI=1S/C19H36O2/c1-12(2)9-19-16(10-14(5)21-19)7-8-18-17(13(3)4)11-15(6)20-18/h12-19H,7-11H2,1-6H3
InChIKeyIANFARKJEWWHAI-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane?
The IUPAC name of 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane (CID 20766407) is 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane.
What is the SMILES notation for 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane?
The canonical SMILES for 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane is CC(C)CC1OC(C)CC1CCC1OC(C)CC1C(C)C.
What is the InChIKey of 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane?
The InChIKey is IANFARKJEWWHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-12(2)9-19-16(10-14(5)21-19)7-8-18-17(13(3)4)11-15(6)20-18/h12-19H,7-11H2,1-6H3.
What are the key properties of 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane?
5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane has a molecular weight of 296.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane is sourced from PubChem (CID 20766407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).