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

C8H12O3 — CID 10898937

IUPAC(3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESCC1(C)O[C@H]2COC=C[C@H]2O1
InChIInChI=1S/C8H12O3/c1-8(2)10-6-3-4-9-5-7(6)11-8/h3-4,6-7H,5H2,1-2H3/t6-,7+/m1/s1
InChIKeyOVPHVJVFDPWYAO-RQJHMYQMSA-N
MW156.18 g/mol
LogP1.05
Rot. Bonds

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

(3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran (PubChem CID 10898937) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name(3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
PubChem CID10898937
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESCC1(C)O[C@H]2COC=C[C@H]2O1
InChIInChI=1S/C8H12O3/c1-8(2)10-6-3-4-9-5-7(6)11-8/h3-4,6-7H,5H2,1-2H3/t6-,7+/m1/s1
InChIKeyOVPHVJVFDPWYAO-RQJHMYQMSA-N
XLogP1.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran (CID 10898937) is (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran is CC1(C)O[C@H]2COC=C[C@H]2O1.
What is the InChIKey of (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is OVPHVJVFDPWYAO-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2)10-6-3-4-9-5-7(6)11-8/h3-4,6-7H,5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran?
(3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 156.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 10898937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).