ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane

C16H23O3P — CID 142844088

IUPACethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane
SMILESC=C1C(COCc2ccccc2)C(OP)C2OC12.CC
InChIInChI=1S/C14H17O3P.C2H6/c1-9-11(13(17-18)14-12(9)16-14)8-15-7-10-5-3-2-4-6-10;1-2/h2-6,11-14H,1,7-8,18H2;1-2H3
InChIKeyMEOKJLOEZDZHCH-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.36
Rot. Bonds5

About ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane

ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane (PubChem CID 142844088) has the molecular formula C16H23O3P and a molecular weight of 294.33 g/mol. Its IUPAC name is ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane.

Molecular Properties

Compound Nameethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane
PubChem CID142844088
Molecular FormulaC16H23O3P
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Nameethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane
SMILESC=C1C(COCc2ccccc2)C(OP)C2OC12.CC
InChIInChI=1S/C14H17O3P.C2H6/c1-9-11(13(17-18)14-12(9)16-14)8-15-7-10-5-3-2-4-6-10;1-2/h2-6,11-14H,1,7-8,18H2;1-2H3
InChIKeyMEOKJLOEZDZHCH-UHFFFAOYSA-N
XLogP3.36
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol
CID 154928785
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
ethane;phenylmethoxymethylbenzene
CID 90943549
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 10811839
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(1S,2S,3S,5R)-3-methyl-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 58620345
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493

Frequently Asked Questions

What is the IUPAC name of ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane?
The IUPAC name of ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane (CID 142844088) is ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane.
What is the SMILES notation for ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane?
The canonical SMILES for ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane is C=C1C(COCc2ccccc2)C(OP)C2OC12.CC.
What is the InChIKey of ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane?
The InChIKey is MEOKJLOEZDZHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O3P.C2H6/c1-9-11(13(17-18)14-12(9)16-14)8-15-7-10-5-3-2-4-6-10;1-2/h2-6,11-14H,1,7-8,18H2;1-2H3.
What are the key properties of ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane?
ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane has a molecular weight of 294.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-methylidene-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]oxyphosphane is sourced from PubChem (CID 142844088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).