[(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium

C15H31NO2P+ — CID 174102788

IUPAC[(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium
SMILESC=CN/C(CC)=C(/C(CC)C[C@@H](C)OC)[P+](C)(C)O
InChIInChI=1S/C15H31NO2P/c1-8-13(11-12(4)18-5)15(19(6,7)17)14(9-2)16-10-3/h10,12-13,16-17H,3,8-9,11H2,1-2,4-7H3/q+1/b15-14-/t12-,13?/m1/s1
InChIKeyQPFHSFWQQFSLIZ-WQUMJLOQSA-N
MW288.39 g/mol
LogP3.98
Rot. Bonds9

About [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium

[(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium (PubChem CID 174102788) has the molecular formula C15H31NO2P+ and a molecular weight of 288.39 g/mol. Its IUPAC name is [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium.

Molecular Properties

Compound Name[(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium
PubChem CID174102788
Molecular FormulaC15H31NO2P+
Molecular Weight288.39 g/mol
Exact Mass288.21
IUPAC Name[(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium
SMILESC=CN/C(CC)=C(/C(CC)C[C@@H](C)OC)[P+](C)(C)O
InChIInChI=1S/C15H31NO2P/c1-8-13(11-12(4)18-5)15(19(6,7)17)14(9-2)16-10-3/h10,12-13,16-17H,3,8-9,11H2,1-2,4-7H3/q+1/b15-14-/t12-,13?/m1/s1
InChIKeyQPFHSFWQQFSLIZ-WQUMJLOQSA-N
XLogP3.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium with MolForge

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Related Compounds

methanol;5-methoxyhexan-3-ol
CID 171659791
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
(2-ethyl-4-methoxypentanoyl)sulfamic acid
CID 58965851
5-methoxyhex-1-en-3-ylhydrazine
CID 105266950
(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol
CID 131853191
(Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one
CID 130242294
(Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine
CID 170130567
methane;2-methoxybutane
CID 162124465
(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
2-ethenoxybutane
CID 13172912
N-ethenyl-1-methoxyethanamine
CID 134202269
(6-methoxy-2-methylhept-1-en-4-yl)hydrazine
CID 105267194

Frequently Asked Questions

What is the IUPAC name of [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium?
The IUPAC name of [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium (CID 174102788) is [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium.
What is the SMILES notation for [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium?
The canonical SMILES for [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium is C=CN/C(CC)=C(/C(CC)C[C@@H](C)OC)[P+](C)(C)O.
What is the InChIKey of [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium?
The InChIKey is QPFHSFWQQFSLIZ-WQUMJLOQSA-N. The full InChI is InChI=1S/C15H31NO2P/c1-8-13(11-12(4)18-5)15(19(6,7)17)14(9-2)16-10-3/h10,12-13,16-17H,3,8-9,11H2,1-2,4-7H3/q+1/b15-14-/t12-,13?/m1/s1.
What are the key properties of [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium?
[(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium has a molecular weight of 288.39 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium is sourced from PubChem (CID 174102788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).