(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane

C8H17O2P — CID 149474091

IUPAC(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane
SMILESCCC1OC(C)(C)OC1CP
InChIInChI=1S/C8H17O2P/c1-4-6-7(5-11)10-8(2,3)9-6/h6-7H,4-5,11H2,1-3H3
InChIKeyZBYBNCOJFQCSDQ-UHFFFAOYSA-N
MW176.20 g/mol
LogP1.79
Rot. Bonds2

About (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane

(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane (PubChem CID 149474091) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane.

Molecular Properties

Compound Name(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane
PubChem CID149474091
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane
SMILESCCC1OC(C)(C)OC1CP
InChIInChI=1S/C8H17O2P/c1-4-6-7(5-11)10-8(2,3)9-6/h6-7H,4-5,11H2,1-3H3
InChIKeyZBYBNCOJFQCSDQ-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,5-tetraethyl-1,3-dioxolane
CID 89360618
[(4R,5R)-2-methyl-4,5-bis(phosphanylmethyl)-1,3-dioxolan-2-yl]methanol
CID 102305196
[(4R,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11052681
(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10583365
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 2829039
[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium
CID 6943508
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
4,5-diethyl-2,2-difluoro-1,3-dioxolane
CID 163770260
(3S,4S)-3,4-diethyldioxetane
CID 71414825
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
(1S,2R,9S)-8-ethyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 138721407
(1S,2R,6R,8R,9S)-8-ethyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 70895184

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane?
The IUPAC name of (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane (CID 149474091) is (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane.
What is the SMILES notation for (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane?
The canonical SMILES for (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane is CCC1OC(C)(C)OC1CP.
What is the InChIKey of (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane?
The InChIKey is ZBYBNCOJFQCSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-4-6-7(5-11)10-8(2,3)9-6/h6-7H,4-5,11H2,1-3H3.
What are the key properties of (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane?
(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane has a molecular weight of 176.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane is sourced from PubChem (CID 149474091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).