phosphanyl 2-methylhept-2-enoate

C8H15O2P — CID 174654525

IUPACphosphanyl 2-methylhept-2-enoate
SMILESCCCCC=C(C)C(=O)OP
InChIInChI=1S/C8H15O2P/c1-3-4-5-6-7(2)8(9)10-11/h6H,3-5,11H2,1-2H3
InChIKeyYSBGFMBPNXJDJL-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.46
Rot. Bonds4

About phosphanyl 2-methylhept-2-enoate

phosphanyl 2-methylhept-2-enoate (PubChem CID 174654525) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is phosphanyl 2-methylhept-2-enoate.

Molecular Properties

Compound Namephosphanyl 2-methylhept-2-enoate
PubChem CID174654525
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Namephosphanyl 2-methylhept-2-enoate
SMILESCCCCC=C(C)C(=O)OP
InChIInChI=1S/C8H15O2P/c1-3-4-5-6-7(2)8(9)10-11/h6H,3-5,11H2,1-2H3
InChIKeyYSBGFMBPNXJDJL-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-methylhept-2-enoate
CID 13122847
CID 177343190
CID 177343190
propyl (E)-2-methylhept-2-enoate
CID 13122849
2-methylbut-2-enoyl 2-methylhept-2-enoate
CID 173170263
methylamino 2-methylhept-2-enoate
CID 174825179
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
methyl 2-methyloct-2-enoate
CID 71403822
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
CID 101496063
2,4,4-trimethylpent-2-enoyl 2-methylhept-2-enoate
CID 173081152
(4-methylcyclohexyl) 2-methylhept-2-enoate
CID 174863490
dodecyl 2-methylhenicos-2-enoate
CID 57172953

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-methylhept-2-enoate?
The IUPAC name of phosphanyl 2-methylhept-2-enoate (CID 174654525) is phosphanyl 2-methylhept-2-enoate.
What is the SMILES notation for phosphanyl 2-methylhept-2-enoate?
The canonical SMILES for phosphanyl 2-methylhept-2-enoate is CCCCC=C(C)C(=O)OP.
What is the InChIKey of phosphanyl 2-methylhept-2-enoate?
The InChIKey is YSBGFMBPNXJDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c1-3-4-5-6-7(2)8(9)10-11/h6H,3-5,11H2,1-2H3.
What are the key properties of phosphanyl 2-methylhept-2-enoate?
phosphanyl 2-methylhept-2-enoate has a molecular weight of 174.18 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-methylhept-2-enoate is sourced from PubChem (CID 174654525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).