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

C11H20O2 — CID 123658879

IUPAC4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCC(C)C1OCOC2CCCCC21
InChIInChI=1S/C11H20O2/c1-8(2)11-9-5-3-4-6-10(9)12-7-13-11/h8-11H,3-7H2,1-2H3
InChIKeyHVVRXXZEILTAMM-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.57
Rot. Bonds1

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

4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (PubChem CID 123658879) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.

Molecular Properties

Compound Name4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
PubChem CID123658879
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCC(C)C1OCOC2CCCCC21
InChIInChI=1S/C11H20O2/c1-8(2)11-9-5-3-4-6-10(9)12-7-13-11/h8-11H,3-7H2,1-2H3
InChIKeyHVVRXXZEILTAMM-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361
5-propan-2-yl-1,3-dioxolane-4-thiol
CID 147684121
(3S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-amine
CID 100664845
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
CID 82418057
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
CID 101159206
(1S,5R,7R)-5-methyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 14909882
2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
CID 82412362
2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 177293546
(3R,3aR,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 89392959
ethane;2-methylpropane;8-oxabicyclo[5.1.0]octane
CID 159343049
4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 66916406
(2S,3R)-3-methyl-2-propan-2-yloxane
CID 121477247

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The IUPAC name of 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (CID 123658879) is 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.
What is the SMILES notation for 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The canonical SMILES for 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is CC(C)C1OCOC2CCCCC21.
What is the InChIKey of 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The InChIKey is HVVRXXZEILTAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)11-9-5-3-4-6-10(9)12-7-13-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine has a molecular weight of 184.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is sourced from PubChem (CID 123658879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).