(3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C10H18O3 — CID 167134303

IUPAC(3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCCC1(CC)O[C@H]2COC(C)[C@H]2O1
InChIInChI=1S/C10H18O3/c1-4-10(5-2)12-8-6-11-7(3)9(8)13-10/h7-9H,4-6H2,1-3H3/t7?,8-,9+/m0/s1
InChIKeyLVAWOTPAYHEKPI-SXNZSPLWSA-N
MW186.25 g/mol
LogP1.71
Rot. Bonds2

About (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 167134303) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID167134303
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCCC1(CC)O[C@H]2COC(C)[C@H]2O1
InChIInChI=1S/C10H18O3/c1-4-10(5-2)12-8-6-11-7(3)9(8)13-10/h7-9H,4-6H2,1-3H3/t7?,8-,9+/m0/s1
InChIKeyLVAWOTPAYHEKPI-SXNZSPLWSA-N
XLogP1.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 167134303) is (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CCC1(CC)O[C@H]2COC(C)[C@H]2O1.
What is the InChIKey of (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is LVAWOTPAYHEKPI-SXNZSPLWSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-10(5-2)12-8-6-11-7(3)9(8)13-10/h7-9H,4-6H2,1-3H3/t7?,8-,9+/m0/s1.
What are the key properties of (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 186.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 167134303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).