methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane

C17H25P — CID 145039308

IUPACmethyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane
SMILESC/C=C(C)\C(=C\C)P(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25P/c1-8-13(4)16(9-2)18(7)17-14(5)10-12(3)11-15(17)6/h8-11H,1-7H3/b13-8-,16-9-
InChIKeyZJJGDCSIGBLWRS-JNERDLNJSA-N
MW260.36 g/mol
LogP5.22
Rot. Bonds3

About methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane

methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane (PubChem CID 145039308) has the molecular formula C17H25P and a molecular weight of 260.36 g/mol. Its IUPAC name is methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Namemethyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane
PubChem CID145039308
Molecular FormulaC17H25P
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Namemethyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane
SMILESC/C=C(C)\C(=C\C)P(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25P/c1-8-13(4)16(9-2)18(7)17-14(5)10-12(3)11-15(17)6/h8-11H,1-7H3/b13-8-,16-9-
InChIKeyZJJGDCSIGBLWRS-JNERDLNJSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane
CID 145039307
3-bromopropyl-bis(2,4,6-trimethylphenyl)phosphane
CID 15006251
1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene
CID 149146879
methyl-prop-1-ynyl-(2,4,6-trimethylphenyl)phosphane
CID 15104012
(Z)-3-hydroxy-2-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 54716620
2,4,6-trimethylbenzeneselenolate
CID 13099944
trihydroxy-(2,4,6-trimethylphenyl)phosphanium
CID 67570561
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
ethane;1,3,5-trimethylbenzene
CID 91530079
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785
2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene
CID 142542320

Frequently Asked Questions

What is the IUPAC name of methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane (CID 145039308) is methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane is C/C=C(C)\C(=C\C)P(C)c1c(C)cc(C)cc1C.
What is the InChIKey of methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is ZJJGDCSIGBLWRS-JNERDLNJSA-N. The full InChI is InChI=1S/C17H25P/c1-8-13(4)16(9-2)18(7)17-14(5)10-12(3)11-15(17)6/h8-11H,1-7H3/b13-8-,16-9-.
What are the key properties of methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane?
methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 260.36 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 145039308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).