(E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene

C8H17O2P — CID 12062971

IUPAC(E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
SMILESCC/C=C/P(C)(=O)OC(C)C
InChIInChI=1S/C8H17O2P/c1-5-6-7-11(4,9)10-8(2)3/h6-8H,5H2,1-4H3/b7-6+
InChIKeyWVGKAGBCORYZFE-VOTSOKGWSA-N
MW176.20 g/mol
LogP3.24
Rot. Bonds4

About (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene

(E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene (PubChem CID 12062971) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene.

Molecular Properties

Compound Name(E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
PubChem CID12062971
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name(E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
SMILESCC/C=C/P(C)(=O)OC(C)C
InChIInChI=1S/C8H17O2P/c1-5-6-7-11(4,9)10-8(2)3/h6-8H,5H2,1-4H3/b7-6+
InChIKeyWVGKAGBCORYZFE-VOTSOKGWSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 53.24
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

Phosphinic acid, diallyl-, propyl ester
CID 120311
Phosphinic acid, diallyl-, ethyl ester
CID 120374
Diethyl 3-butenylphosphonate
CID 10997850
Phosphinic acid, diallyl-, isopropyl ester
CID 120310
1-Ethoxy-2,3-dihydro-1H-1lambda~5~-phosphol-1-one
CID 120335
Phosphinic acid, allylmethyl-, isopropyl ester
CID 201552
2-Phospholene, 1-propoxy-, 1-oxide
CID 204465
2-Phospholene, 1-isopropoxy-, 1-oxide
CID 3039706
5-[Fluoro(propan-2-yloxy)phosphoryl]pent-2-ene
CID 129695322
6-Diethoxyphosphorylhex-1-ene
CID 10466042
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469

Frequently Asked Questions

What is the IUPAC name of (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene?
The IUPAC name of (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene (CID 12062971) is (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene.
What is the SMILES notation for (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene?
The canonical SMILES for (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene is CC/C=C/P(C)(=O)OC(C)C.
What is the InChIKey of (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene?
The InChIKey is WVGKAGBCORYZFE-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17O2P/c1-5-6-7-11(4,9)10-8(2)3/h6-8H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene?
(E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene has a molecular weight of 176.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene is sourced from PubChem (CID 12062971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).