3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane

C21H38O6 — CID 11825221

IUPAC3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane
SMILESCCC(COCC1(C)COC1)(COCC1(C)COC1)COCC1(C)COC1
InChIInChI=1S/C21H38O6/c1-5-21(15-25-12-18(2)6-22-7-18,16-26-13-19(3)8-23-9-19)17-27-14-20(4)10-24-11-20/h5-17H2,1-4H3
InChIKeyXNVUQTXTCUKXIP-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.54
Rot. Bonds13

About 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane

3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane (PubChem CID 11825221) has the molecular formula C21H38O6 and a molecular weight of 386.53 g/mol. Its IUPAC name is 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane
PubChem CID11825221
Molecular FormulaC21H38O6
Molecular Weight386.53 g/mol
Exact Mass386.27
IUPAC Name3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane
SMILESCCC(COCC1(C)COC1)(COCC1(C)COC1)COCC1(C)COC1
InChIInChI=1S/C21H38O6/c1-5-21(15-25-12-18(2)6-22-7-18,16-26-13-19(3)8-23-9-19)17-27-14-20(4)10-24-11-20/h5-17H2,1-4H3
InChIKeyXNVUQTXTCUKXIP-UHFFFAOYSA-N
XLogP2.54
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane?
The IUPAC name of 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane (CID 11825221) is 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane.
What is the SMILES notation for 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane?
The canonical SMILES for 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane is CCC(COCC1(C)COC1)(COCC1(C)COC1)COCC1(C)COC1.
What is the InChIKey of 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane?
The InChIKey is XNVUQTXTCUKXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O6/c1-5-21(15-25-12-18(2)6-22-7-18,16-26-13-19(3)8-23-9-19)17-27-14-20(4)10-24-11-20/h5-17H2,1-4H3.
What are the key properties of 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane?
3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane has a molecular weight of 386.53 g/mol, XLogP of 2.54, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane is sourced from PubChem (CID 11825221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).