ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane

C14H23P — CID 142289400

IUPACethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane
SMILESC/C=C\c1cc(CPC)ccc1C.CC
InChIInChI=1S/C12H17P.C2H6/c1-4-5-12-8-11(9-13-3)7-6-10(12)2;1-2/h4-8,13H,9H2,1-3H3;1-2H3/b5-4-;
InChIKeyZYAKDXCDFDHZEW-MKWAYWHRSA-N
MW222.31 g/mol
LogP4.86
Rot. Bonds3

About ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane

ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane (PubChem CID 142289400) has the molecular formula C14H23P and a molecular weight of 222.31 g/mol. Its IUPAC name is ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane.

Molecular Properties

Compound Nameethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane
PubChem CID142289400
Molecular FormulaC14H23P
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Nameethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane
SMILESC/C=C\c1cc(CPC)ccc1C.CC
InChIInChI=1S/C12H17P.C2H6/c1-4-5-12-8-11(9-13-3)7-6-10(12)2;1-2/h4-8,13H,9H2,1-3H3;1-2H3/b5-4-;
InChIKeyZYAKDXCDFDHZEW-MKWAYWHRSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 54.86
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

4-[3-bromo-2-[(2-methylpropan-2-yl)oxy]propyl]-1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 177034181
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
4-methyl-3-prop-1-enylphenol
CID 59722537
4-methoxy-1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 89049645
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 142289404
4,4,5,5-tetramethyl-2-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-1,3,2-dioxaborolane
CID 143974661
3-[3-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]propyl]-2H-pyrrole-5-carbaldehyde
CID 134390195
[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455074
1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene
CID 158430591
(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
CID 143980341

Frequently Asked Questions

What is the IUPAC name of ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane?
The IUPAC name of ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane (CID 142289400) is ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane.
What is the SMILES notation for ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane?
The canonical SMILES for ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane is C/C=C\c1cc(CPC)ccc1C.CC.
What is the InChIKey of ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane?
The InChIKey is ZYAKDXCDFDHZEW-MKWAYWHRSA-N. The full InChI is InChI=1S/C12H17P.C2H6/c1-4-5-12-8-11(9-13-3)7-6-10(12)2;1-2/h4-8,13H,9H2,1-3H3;1-2H3/b5-4-;.
What are the key properties of ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane?
ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane has a molecular weight of 222.31 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-[[4-methyl-3-[(Z)-prop-1-enyl]phenyl]methyl]phosphane is sourced from PubChem (CID 142289400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).