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

C13H24O2 — CID 139467856

IUPAC(7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCC(C)C1OC(C)C2CC[C@@H](C)CC2O1
InChIInChI=1S/C13H24O2/c1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13/h8-13H,5-7H2,1-4H3/t9-,10?,11?,12?,13?/m1/s1
InChIKeyRQIWMBGLMJAOAL-HIVKSXORSA-N
MW212.33 g/mol
LogP3.21
Rot. Bonds1

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

(7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (PubChem CID 139467856) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.

Molecular Properties

Compound Name(7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
PubChem CID139467856
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCC(C)C1OC(C)C2CC[C@@H](C)CC2O1
InChIInChI=1S/C13H24O2/c1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13/h8-13H,5-7H2,1-4H3/t9-,10?,11?,12?,13?/m1/s1
InChIKeyRQIWMBGLMJAOAL-HIVKSXORSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The IUPAC name of (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (CID 139467856) is (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.
What is the SMILES notation for (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The canonical SMILES for (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is CC(C)C1OC(C)C2CC[C@@H](C)CC2O1.
What is the InChIKey of (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The InChIKey is RQIWMBGLMJAOAL-HIVKSXORSA-N. The full InChI is InChI=1S/C13H24O2/c1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13/h8-13H,5-7H2,1-4H3/t9-,10?,11?,12?,13?/m1/s1.
What are the key properties of (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
(7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine has a molecular weight of 212.33 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is sourced from PubChem (CID 139467856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).