4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine

C15H28O2 — CID 139468011

IUPAC4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCCCC(C)C1OC(C)C2CCC(C)CC2O1
InChIInChI=1S/C15H28O2/c1-5-6-11(3)15-16-12(4)13-8-7-10(2)9-14(13)17-15/h10-15H,5-9H2,1-4H3
InChIKeyMLOBFISHAXMWTR-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds3

About 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine

4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (PubChem CID 139468011) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.

Molecular Properties

Compound Name4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
PubChem CID139468011
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCCCC(C)C1OC(C)C2CCC(C)CC2O1
InChIInChI=1S/C15H28O2/c1-5-6-11(3)15-16-12(4)13-8-7-10(2)9-14(13)17-15/h10-15H,5-9H2,1-4H3
InChIKeyMLOBFISHAXMWTR-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The IUPAC name of 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (CID 139468011) is 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.
What is the SMILES notation for 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The canonical SMILES for 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is CCCC(C)C1OC(C)C2CCC(C)CC2O1.
What is the InChIKey of 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The InChIKey is MLOBFISHAXMWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-6-11(3)15-16-12(4)13-8-7-10(2)9-14(13)17-15/h10-15H,5-9H2,1-4H3.
What are the key properties of 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine has a molecular weight of 240.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is sourced from PubChem (CID 139468011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).