2-(7-phenyloctyl)oxetane

C17H26O — CID 173415617

IUPAC2-(7-phenyloctyl)oxetane
SMILESCC(CCCCCCC1CCO1)c1ccccc1
InChIInChI=1S/C17H26O/c1-15(16-10-6-4-7-11-16)9-5-2-3-8-12-17-13-14-18-17/h4,6-7,10-11,15,17H,2-3,5,8-9,12-14H2,1H3
InChIKeyWPMOCVYQTBCLHT-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.92
Rot. Bonds8

About 2-(7-phenyloctyl)oxetane

2-(7-phenyloctyl)oxetane (PubChem CID 173415617) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-(7-phenyloctyl)oxetane.

Molecular Properties

Compound Name2-(7-phenyloctyl)oxetane
PubChem CID173415617
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-(7-phenyloctyl)oxetane
SMILESCC(CCCCCCC1CCO1)c1ccccc1
InChIInChI=1S/C17H26O/c1-15(16-10-6-4-7-11-16)9-5-2-3-8-12-17-13-14-18-17/h4,6-7,10-11,15,17H,2-3,5,8-9,12-14H2,1H3
InChIKeyWPMOCVYQTBCLHT-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
2-(5-methylhexyl)oxetane
CID 173452744
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
CID 66633104
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
2,14-diphenylpentadecan-8-ol
CID 71175182
2-pentyloxetane;phenol
CID 67793049
1-methoxy-5-(oxolan-2-yl)-1-phenylpentan-2-ol
CID 116756915
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
CID 104992984

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenyloctyl)oxetane?
The IUPAC name of 2-(7-phenyloctyl)oxetane (CID 173415617) is 2-(7-phenyloctyl)oxetane.
What is the SMILES notation for 2-(7-phenyloctyl)oxetane?
The canonical SMILES for 2-(7-phenyloctyl)oxetane is CC(CCCCCCC1CCO1)c1ccccc1.
What is the InChIKey of 2-(7-phenyloctyl)oxetane?
The InChIKey is WPMOCVYQTBCLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-15(16-10-6-4-7-11-16)9-5-2-3-8-12-17-13-14-18-17/h4,6-7,10-11,15,17H,2-3,5,8-9,12-14H2,1H3.
What are the key properties of 2-(7-phenyloctyl)oxetane?
2-(7-phenyloctyl)oxetane has a molecular weight of 246.39 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenyloctyl)oxetane is sourced from PubChem (CID 173415617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).