2-methylpentylidenephosphane

C6H13P — CID 90893799

IUPAC2-methylpentylidenephosphane
SMILES[H]/P=C/C(C)CCC
InChIInChI=1S/C6H13P/c1-3-4-6(2)5-7/h5-7H,3-4H2,1-2H3
InChIKeySYRMKWGNPFOTPE-UHFFFAOYSA-N
MW116.14 g/mol
LogP2.37
Rot. Bonds3

About 2-methylpentylidenephosphane

2-methylpentylidenephosphane (PubChem CID 90893799) has the molecular formula C6H13P and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-methylpentylidenephosphane.

Molecular Properties

Compound Name2-methylpentylidenephosphane
PubChem CID90893799
Molecular FormulaC6H13P
Molecular Weight116.14 g/mol
Exact Mass116.08
IUPAC Name2-methylpentylidenephosphane
SMILES[H]/P=C/C(C)CCC
InChIInChI=1S/C6H13P/c1-3-4-6(2)5-7/h5-7H,3-4H2,1-2H3
InChIKeySYRMKWGNPFOTPE-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-methylhept-2-ene
CID 5352649
(E)-3-methylhex-1-ene-1-thiol
CID 88973793
potassium;hydride;2-methylpentanal
CID 173401246
(6R)-6-methylnon-4-ene
CID 175484589
2-methylpentanal;propanal
CID 23460116
(E)-5-methyloct-3-en-2-ol
CID 87272942
5-methylocta-2,3-diene
CID 123151584
(Z)-4-methylhept-2-en-1-imine
CID 123491020
(E)-N,4-dimethylhept-2-en-1-amine
CID 131243211
(E)-3,5-dimethyloct-3-ene
CID 169006712
4-methylheptane
CID 11512
2-methylpentane
CID 7892

Frequently Asked Questions

What is the IUPAC name of 2-methylpentylidenephosphane?
The IUPAC name of 2-methylpentylidenephosphane (CID 90893799) is 2-methylpentylidenephosphane.
What is the SMILES notation for 2-methylpentylidenephosphane?
The canonical SMILES for 2-methylpentylidenephosphane is [H]/P=C/C(C)CCC.
What is the InChIKey of 2-methylpentylidenephosphane?
The InChIKey is SYRMKWGNPFOTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13P/c1-3-4-6(2)5-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-methylpentylidenephosphane?
2-methylpentylidenephosphane has a molecular weight of 116.14 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentylidenephosphane is sourced from PubChem (CID 90893799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).