2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane

C18H22O2 — CID 170874182

IUPAC2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane
SMILESCc1cc(C2OCCO2)c2c(C)ccc(C(C)C)cc1-2
InChIInChI=1S/C18H22O2/c1-11(2)14-6-5-12(3)17-15(10-14)13(4)9-16(17)18-19-7-8-20-18/h5-6,9-11,18H,7-8H2,1-4H3
InChIKeyODOWZVOGIIQRLX-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.58
Rot. Bonds2

About 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane

2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane (PubChem CID 170874182) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane
PubChem CID170874182
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane
SMILESCc1cc(C2OCCO2)c2c(C)ccc(C(C)C)cc1-2
InChIInChI=1S/C18H22O2/c1-11(2)14-6-5-12(3)17-15(10-14)13(4)9-16(17)18-19-7-8-20-18/h5-6,9-11,18H,7-8H2,1-4H3
InChIKeyODOWZVOGIIQRLX-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane?
The IUPAC name of 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane (CID 170874182) is 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane is Cc1cc(C2OCCO2)c2c(C)ccc(C(C)C)cc1-2.
What is the InChIKey of 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane?
The InChIKey is ODOWZVOGIIQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-11(2)14-6-5-12(3)17-15(10-14)13(4)9-16(17)18-19-7-8-20-18/h5-6,9-11,18H,7-8H2,1-4H3.
What are the key properties of 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane?
2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane has a molecular weight of 270.37 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane is sourced from PubChem (CID 170874182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).