ditert-butyl-methyl-methylidene-λ5-phosphane

C10H23P — CID 12565623

IUPACditert-butyl-methyl-methylidene-λ5-phosphane
SMILESC=P(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H23P/c1-9(2,3)11(7,8)10(4,5)6/h7H2,1-6,8H3
InChIKeyNSLHPWQNOYFAMO-UHFFFAOYSA-N
MW174.27 g/mol
LogP3.66
Rot. Bonds

About ditert-butyl-methyl-methylidene-λ5-phosphane

ditert-butyl-methyl-methylidene-λ5-phosphane (PubChem CID 12565623) has the molecular formula C10H23P and a molecular weight of 174.27 g/mol. Its IUPAC name is ditert-butyl-methyl-methylidene-λ5-phosphane.

Molecular Properties

Compound Nameditert-butyl-methyl-methylidene-λ5-phosphane
PubChem CID12565623
Molecular FormulaC10H23P
Molecular Weight174.27 g/mol
Exact Mass174.15
IUPAC Nameditert-butyl-methyl-methylidene-λ5-phosphane
SMILESC=P(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H23P/c1-9(2,3)11(7,8)10(4,5)6/h7H2,1-6,8H3
InChIKeyNSLHPWQNOYFAMO-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-methyl-methylidene-λ5-phosphane?
The IUPAC name of ditert-butyl-methyl-methylidene-λ5-phosphane (CID 12565623) is ditert-butyl-methyl-methylidene-λ5-phosphane.
What is the SMILES notation for ditert-butyl-methyl-methylidene-λ5-phosphane?
The canonical SMILES for ditert-butyl-methyl-methylidene-λ5-phosphane is C=P(C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-methyl-methylidene-λ5-phosphane?
The InChIKey is NSLHPWQNOYFAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23P/c1-9(2,3)11(7,8)10(4,5)6/h7H2,1-6,8H3.
What are the key properties of ditert-butyl-methyl-methylidene-λ5-phosphane?
ditert-butyl-methyl-methylidene-λ5-phosphane has a molecular weight of 174.27 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-methyl-methylidene-λ5-phosphane is sourced from PubChem (CID 12565623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).