prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane

C10H19P — CID 126513975

IUPACprop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
SMILESC=C(C)P/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H19P/c1-8(2)11-7-9(3)10(4,5)6/h7,11H,1H2,2-6H3/b9-7+
InChIKeyNIZBCDZFGRURSL-VQHVLOKHSA-N
MW170.24 g/mol
LogP4.15
Rot. Bonds2

About prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane

prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane (PubChem CID 126513975) has the molecular formula C10H19P and a molecular weight of 170.24 g/mol. Its IUPAC name is prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane.

Molecular Properties

Compound Nameprop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
PubChem CID126513975
Molecular FormulaC10H19P
Molecular Weight170.24 g/mol
Exact Mass170.12
IUPAC Nameprop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
SMILESC=C(C)P/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H19P/c1-8(2)11-7-9(3)10(4,5)6/h7,11H,1H2,2-6H3/b9-7+
InChIKeyNIZBCDZFGRURSL-VQHVLOKHSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 54.15
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

prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
CID 134197621
(E)-1-chloro-2,3,3-trimethylbut-1-ene
CID 167165936
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
(E)-1-bromo-2,3,3-trimethylbut-1-ene
CID 15737642
(5E)-2,6,7,7-tetramethylocta-1,5-diene
CID 144537468
(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
CID 134214023
(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene
CID 5365072
(E)-1-hydroperoxy-2,3,3-trimethylbut-1-ene
CID 18637993
O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine
CID 126587144
(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
CID 129167754
(3Z,4E)-3-ethylidene-5,6,6-trimethylhepta-1,4-diene
CID 153392507
(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene
CID 166123890

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The IUPAC name of prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane (CID 126513975) is prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane.
What is the SMILES notation for prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The canonical SMILES for prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane is C=C(C)P/C=C(\C)C(C)(C)C.
What is the InChIKey of prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The InChIKey is NIZBCDZFGRURSL-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H19P/c1-8(2)11-7-9(3)10(4,5)6/h7,11H,1H2,2-6H3/b9-7+.
What are the key properties of prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane has a molecular weight of 170.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane is sourced from PubChem (CID 126513975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).