2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane

C17H32O2 — CID 58879054

IUPAC2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane
SMILESCC1(C)COC1CCCCCCCC1OCC1(C)C
InChIInChI=1S/C17H32O2/c1-16(2)12-18-14(16)10-8-6-5-7-9-11-15-17(3,4)13-19-15/h14-15H,5-13H2,1-4H3
InChIKeyXAMJTWUVLOOUIQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.57
Rot. Bonds8

About 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane

2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane (PubChem CID 58879054) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane.

Molecular Properties

Compound Name2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane
PubChem CID58879054
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane
SMILESCC1(C)COC1CCCCCCCC1OCC1(C)C
InChIInChI=1S/C17H32O2/c1-16(2)12-18-14(16)10-8-6-5-7-9-11-15-17(3,4)13-19-15/h14-15H,5-13H2,1-4H3
InChIKeyXAMJTWUVLOOUIQ-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-(2-methylpropyl)oxetane
CID 171398553
(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
3-heptyl-2-methyloxiran-2-amine
CID 74220849
3-heptyl-6-(iodomethyl)-6-methyl-1,2,4-trioxane
CID 15275207
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
2-pentyl-1,4-dioxaspiro[2.2]pentane
CID 56981326
2,5-dioctyl-1,4-dioxaspiro[2.2]pentane
CID 22957637
1,1-dimethyl-2-octylcyclopropane
CID 15329257
(2R,4R)-4-fluoro-2-heptyl-4-methyloxolane
CID 11275709
2-(hydroxymethyl)-3,4,5-trimethyloxane-3,4,5-triol
CID 23530499
4,4,8,8,12,12-hexamethyl-2,6,10-trioxa-13-azatricyclo[7.3.1.05,13]tridecane
CID 11821655
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane?
The IUPAC name of 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane (CID 58879054) is 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane.
What is the SMILES notation for 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane?
The canonical SMILES for 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane is CC1(C)COC1CCCCCCCC1OCC1(C)C.
What is the InChIKey of 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane?
The InChIKey is XAMJTWUVLOOUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-16(2)12-18-14(16)10-8-6-5-7-9-11-15-17(3,4)13-19-15/h14-15H,5-13H2,1-4H3.
What are the key properties of 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane?
2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane has a molecular weight of 268.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,3-dimethyloxetan-2-yl)heptyl]-3,3-dimethyloxetane is sourced from PubChem (CID 58879054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).