3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane

C18H32O6 — CID 58988708

IUPAC3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane
SMILESCC1(COCC(COCC2(C)COC2)OCC2(C)COC2)COC1
InChIInChI=1S/C18H32O6/c1-16(8-21-9-16)6-19-4-15(24-14-18(3)12-23-13-18)5-20-7-17(2)10-22-11-17/h15H,4-14H2,1-3H3
InChIKeyKKILYUFDDDZBBZ-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.51
Rot. Bonds11

About 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane

3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane (PubChem CID 58988708) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane
PubChem CID58988708
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane
SMILESCC1(COCC(COCC2(C)COC2)OCC2(C)COC2)COC1
InChIInChI=1S/C18H32O6/c1-16(8-21-9-16)6-19-4-15(24-14-18(3)12-23-13-18)5-20-7-17(2)10-22-11-17/h15H,4-14H2,1-3H3
InChIKeyKKILYUFDDDZBBZ-UHFFFAOYSA-N
XLogP1.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane?
The IUPAC name of 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane (CID 58988708) is 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane.
What is the SMILES notation for 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane?
The canonical SMILES for 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane is CC1(COCC(COCC2(C)COC2)OCC2(C)COC2)COC1.
What is the InChIKey of 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane?
The InChIKey is KKILYUFDDDZBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O6/c1-16(8-21-9-16)6-19-4-15(24-14-18(3)12-23-13-18)5-20-7-17(2)10-22-11-17/h15H,4-14H2,1-3H3.
What are the key properties of 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane?
3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane has a molecular weight of 344.45 g/mol, XLogP of 1.51, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane is sourced from PubChem (CID 58988708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).