4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane

C16H22O3 — CID 22957073

IUPAC4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane
SMILESC(OCC1CC2CC1C1C3CC(C4OC34)C21)C1CO1
InChIInChI=1S/C16H22O3/c1-7-2-10(8(1)4-17-5-9-6-18-9)14-12-3-11(13(7)14)15-16(12)19-15/h7-16H,1-6H2
InChIKeyBNBQCZWLCGTRNJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds4

About 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane

4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane (PubChem CID 22957073) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane.

Molecular Properties

Compound Name4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane
PubChem CID22957073
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane
SMILESC(OCC1CC2CC1C1C3CC(C4OC34)C21)C1CO1
InChIInChI=1S/C16H22O3/c1-7-2-10(8(1)4-17-5-9-6-18-9)14-12-3-11(13(7)14)15-16(12)19-15/h7-16H,1-6H2
InChIKeyBNBQCZWLCGTRNJ-UHFFFAOYSA-N
XLogP1.71
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane
CID 126625635
6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 12574062
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
[5,6-bis(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]silane
CID 123742519
4-[3-(4-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl)propyl]pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 163823872
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
CID 20583938
CID 20583938
3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
CID 23382653
2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol
CID 87173787

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane?
The IUPAC name of 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane (CID 22957073) is 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane.
What is the SMILES notation for 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane?
The canonical SMILES for 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane is C(OCC1CC2CC1C1C3CC(C4OC34)C21)C1CO1.
What is the InChIKey of 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane?
The InChIKey is BNBQCZWLCGTRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-7-2-10(8(1)4-17-5-9-6-18-9)14-12-3-11(13(7)14)15-16(12)19-15/h7-16H,1-6H2.
What are the key properties of 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane?
4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane has a molecular weight of 262.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane is sourced from PubChem (CID 22957073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).