(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

C14H26O6 — CID 129155573

IUPAC(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SMILESCC(C)OC[C@@H]1OCO[C@H]2[C@@H]1OCO[C@@H]2COC(C)C
InChIInChI=1S/C14H26O6/c1-9(2)15-5-11-13-14(20-7-17-11)12(18-8-19-13)6-16-10(3)4/h9-14H,5-8H2,1-4H3/t11-,12+,13-,14-/m1/s1
InChIKeyDCCOCWCPAVBZQN-XJFOESAGSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds6

About (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine (PubChem CID 129155573) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine.

Molecular Properties

Compound Name(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
PubChem CID129155573
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SMILESCC(C)OC[C@@H]1OCO[C@H]2[C@@H]1OCO[C@@H]2COC(C)C
InChIInChI=1S/C14H26O6/c1-9(2)15-5-11-13-14(20-7-17-11)12(18-8-19-13)6-16-10(3)4/h9-14H,5-8H2,1-4H3/t11-,12+,13-,14-/m1/s1
InChIKeyDCCOCWCPAVBZQN-XJFOESAGSA-N
XLogP1.32
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The IUPAC name of (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine (CID 129155573) is (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine.
What is the SMILES notation for (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The canonical SMILES for (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine is CC(C)OC[C@@H]1OCO[C@H]2[C@@H]1OCO[C@@H]2COC(C)C.
What is the InChIKey of (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The InChIKey is DCCOCWCPAVBZQN-XJFOESAGSA-N. The full InChI is InChI=1S/C14H26O6/c1-9(2)15-5-11-13-14(20-7-17-11)12(18-8-19-13)6-16-10(3)4/h9-14H,5-8H2,1-4H3/t11-,12+,13-,14-/m1/s1.
What are the key properties of (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine has a molecular weight of 290.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine is sourced from PubChem (CID 129155573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).