(3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran

C9H14O3 — CID 11446573

IUPAC(3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESC[C@H]1OC=C[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C9H14O3/c1-6-8-7(4-5-10-6)11-9(2,3)12-8/h4-8H,1-3H3/t6-,7+,8-/m1/s1
InChIKeyMMVHFXOWPGSMQB-GJMOJQLCSA-N
MW170.21 g/mol
LogP1.44
Rot. Bonds

About (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran

(3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran (PubChem CID 11446573) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name(3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
PubChem CID11446573
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESC[C@H]1OC=C[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C9H14O3/c1-6-8-7(4-5-10-6)11-9(2,3)12-8/h4-8H,1-3H3/t6-,7+,8-/m1/s1
InChIKeyMMVHFXOWPGSMQB-GJMOJQLCSA-N
XLogP1.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran with MolForge

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Related Compounds

1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638
[(3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-tributylstannane
CID 11155375
[(3aR,4R,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl acetate
CID 14351868
(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran
CID 134834586
(3aS,4R,7aR)-4-methyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 134862589
(4aR,7aS)-2,2-dimethyl-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxine
CID 135072242
(4S,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 178325740
(3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 10898937
(3aR,7aS)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 15399328
((3AR,4R,7aR)-2,2-dimethyl-3a,7a-dihydro-4H-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol
CID 10943172
4-Ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
CID 13497315
4-Ethenyl-2-methyl-2-propyl-1,3-dioxolane
CID 19388272

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran (CID 11446573) is (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran is C[C@H]1OC=C[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is MMVHFXOWPGSMQB-GJMOJQLCSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-8-7(4-5-10-6)11-9(2,3)12-8/h4-8H,1-3H3/t6-,7+,8-/m1/s1.
What are the key properties of (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran?
(3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 170.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 11446573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).