1-but-3-enyl-1lambda5-phospholane 1-oxide

C8H15OP — CID 15190179

IUPAC1-but-3-enyl-1lambda5-phospholane 1-oxide
SMILESC=CCCP1(=O)CCCC1
InChIInChI=1S/C8H15OP/c1-2-3-6-10(9)7-4-5-8-10/h2H,1,3-8H2
InChIKeyJNYDJISIMJCDRW-UHFFFAOYSA-N
MW158.18 g/mol
LogP2.72
Rot. Bonds3

About 1-but-3-enyl-1lambda5-phospholane 1-oxide

1-but-3-enyl-1lambda5-phospholane 1-oxide (PubChem CID 15190179) has the molecular formula C8H15OP and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-but-3-enyl-1lambda5-phospholane 1-oxide.

Molecular Properties

Compound Name1-but-3-enyl-1lambda5-phospholane 1-oxide
PubChem CID15190179
Molecular FormulaC8H15OP
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-but-3-enyl-1lambda5-phospholane 1-oxide
SMILESC=CCCP1(=O)CCCC1
InChIInChI=1S/C8H15OP/c1-2-3-6-10(9)7-4-5-8-10/h2H,1,3-8H2
InChIKeyJNYDJISIMJCDRW-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-3-enylcyclohexane;carbonic acid
CID 70349609
(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
CID 58070890
but-3-enylcyclododecane
CID 54074675
2-cyclopentylhept-6-enoic acid
CID 112569181
pent-4-enal
CID 16418
formic acid;hexa-1,5-diene
CID 174904293
N-but-3-enyl-2,6-dimethylcyclohexan-1-amine
CID 104577567
carbonic acid;4-fluorobut-1-ene
CID 87326149
but-3-enoxycyclobutane
CID 130057115
hex-5-enylcyclopentane
CID 20565123
1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
CID 107224564
2-hept-6-enylcyclohexane-1-carboxylic acid
CID 107010655

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-1lambda5-phospholane 1-oxide?
The IUPAC name of 1-but-3-enyl-1lambda5-phospholane 1-oxide (CID 15190179) is 1-but-3-enyl-1lambda5-phospholane 1-oxide.
What is the SMILES notation for 1-but-3-enyl-1lambda5-phospholane 1-oxide?
The canonical SMILES for 1-but-3-enyl-1lambda5-phospholane 1-oxide is C=CCCP1(=O)CCCC1.
What is the InChIKey of 1-but-3-enyl-1lambda5-phospholane 1-oxide?
The InChIKey is JNYDJISIMJCDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15OP/c1-2-3-6-10(9)7-4-5-8-10/h2H,1,3-8H2.
What are the key properties of 1-but-3-enyl-1lambda5-phospholane 1-oxide?
1-but-3-enyl-1lambda5-phospholane 1-oxide has a molecular weight of 158.18 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-1lambda5-phospholane 1-oxide is sourced from PubChem (CID 15190179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).