2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine

C14H18O2 — CID 170409465

IUPAC2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine
SMILESCC1C2CC3=CC=CC=CC3C2OC(O1)C
InChIInChI=1S/C14H18O2/c1-9-13-8-11-6-4-3-5-7-12(11)14(13)16-10(2)15-9/h3-7,9-10,12-14H,8H2,1-2H3
InChIKeyVHYUIPQRNBQAER-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.80
Rot. Bonds

About 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine

2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine (PubChem CID 170409465) has the molecular formula C14H18O2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine.

Molecular Properties

Compound Name2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine
PubChem CID170409465
Molecular FormulaC14H18O2
Molecular Weight218.29 g/mol
Exact Mass218.13
IUPAC Name2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine
SMILESCC1C2CC3=CC=CC=CC3C2OC(O1)C
InChIInChI=1S/C14H18O2/c1-9-13-8-11-6-4-3-5-7-12(11)14(13)16-10(2)15-9/h3-7,9-10,12-14H,8H2,1-2H3
InChIKeyVHYUIPQRNBQAER-UHFFFAOYSA-N
XLogP2.80
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity367

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine?
The IUPAC name of 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine (CID 170409465) is 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine.
What is the SMILES notation for 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine?
The canonical SMILES for 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine is CC1C2CC3=CC=CC=CC3C2OC(O1)C.
What is the InChIKey of 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine?
The InChIKey is VHYUIPQRNBQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-13-8-11-6-4-3-5-7-12(11)14(13)16-10(2)15-9/h3-7,9-10,12-14H,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine?
2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine has a molecular weight of 218.29 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine is sourced from PubChem (CID 170409465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).