1-(dimethylidene-λ5-phosphanyl)ethanol

C4H9OP — CID 90809058

IUPAC1-(dimethylidene-λ5-phosphanyl)ethanol
SMILESC=P(=C)C(C)O
InChIInChI=1S/C4H9OP/c1-4(5)6(2)3/h4-5H,2-3H2,1H3
InChIKeyJWJVLYMQHCFNLA-UHFFFAOYSA-N
MW104.09 g/mol
LogP0.67
Rot. Bonds1

About 1-(dimethylidene-λ5-phosphanyl)ethanol

1-(dimethylidene-λ5-phosphanyl)ethanol (PubChem CID 90809058) has the molecular formula C4H9OP and a molecular weight of 104.09 g/mol. Its IUPAC name is 1-(dimethylidene-λ5-phosphanyl)ethanol.

Molecular Properties

Compound Name1-(dimethylidene-λ5-phosphanyl)ethanol
PubChem CID90809058
Molecular FormulaC4H9OP
Molecular Weight104.09 g/mol
Exact Mass104.04
IUPAC Name1-(dimethylidene-λ5-phosphanyl)ethanol
SMILESC=P(=C)C(C)O
InChIInChI=1S/C4H9OP/c1-4(5)6(2)3/h4-5H,2-3H2,1H3
InChIKeyJWJVLYMQHCFNLA-UHFFFAOYSA-N
XLogP0.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.09
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(dimethylamino)ethanol
CID 93477761
bis(dibromorhenium);bis(ethane-1,1-diol)
CID 5231293
(1R)-1-(dimethylamino)ethanol
CID 93477762
lutetium;propan-2-ol
CID 174898431
trihydroxy(methyl)phosphanium;zinc
CID 158601000
chromium;tetrakis(ethane-1,1-diol)
CID 59348393
erbium;propan-2-ol
CID 160843836
ethane-1,1-diol;hydrate
CID 86643495
tetrakis(propan-2-ol);samarium
CID 175326578
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
Indium(III) isopropoxide
CID 159258374
propan-2-ol;titanium
CID 25200171

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylidene-λ5-phosphanyl)ethanol?
The IUPAC name of 1-(dimethylidene-λ5-phosphanyl)ethanol (CID 90809058) is 1-(dimethylidene-λ5-phosphanyl)ethanol.
What is the SMILES notation for 1-(dimethylidene-λ5-phosphanyl)ethanol?
The canonical SMILES for 1-(dimethylidene-λ5-phosphanyl)ethanol is C=P(=C)C(C)O.
What is the InChIKey of 1-(dimethylidene-λ5-phosphanyl)ethanol?
The InChIKey is JWJVLYMQHCFNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9OP/c1-4(5)6(2)3/h4-5H,2-3H2,1H3.
What are the key properties of 1-(dimethylidene-λ5-phosphanyl)ethanol?
1-(dimethylidene-λ5-phosphanyl)ethanol has a molecular weight of 104.09 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylidene-λ5-phosphanyl)ethanol is sourced from PubChem (CID 90809058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).