2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine

C17H32O2 — CID 66926207

IUPAC2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCCCCC1(C(C)C)OC(CC)C2CCCCC2O1
InChIInChI=1S/C17H32O2/c1-5-7-12-17(13(3)4)18-15(6-2)14-10-8-9-11-16(14)19-17/h13-16H,5-12H2,1-4H3
InChIKeyGQIVAQONEIBGNE-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.91
Rot. Bonds5

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

2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (PubChem CID 66926207) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.

Molecular Properties

Compound Name2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
PubChem CID66926207
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCCCCC1(C(C)C)OC(CC)C2CCCCC2O1
InChIInChI=1S/C17H32O2/c1-5-7-12-17(13(3)4)18-15(6-2)14-10-8-9-11-16(14)19-17/h13-16H,5-12H2,1-4H3
InChIKeyGQIVAQONEIBGNE-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 66916406
1-butyl-2-methyl-1-propan-2-ylcyclohexane
CID 174787138
(2S,3R,3aS,7aR)-2-butyl-3-iodo-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 15440255
2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol
CID 85299411
(7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 89284134
2-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062
propane;propan-2-ylcyclopentane
CID 91615250
4-(4-methylpentyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-2-one
CID 21387317
ethane;2-(9-methylhexadecyl)-2-octadecyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 144515173
2-methyloctan-3-ylcycloheptane
CID 123273196

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The IUPAC name of 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (CID 66926207) is 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.
What is the SMILES notation for 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The canonical SMILES for 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is CCCCC1(C(C)C)OC(CC)C2CCCCC2O1.
What is the InChIKey of 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The InChIKey is GQIVAQONEIBGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-5-7-12-17(13(3)4)18-15(6-2)14-10-8-9-11-16(14)19-17/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine has a molecular weight of 268.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is sourced from PubChem (CID 66926207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).