2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane

C17H23P — CID 137401537

IUPAC2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane
SMILESC=C(C)/C=C\C=C(/C)c1cccc(C(C)(C)P)c1
InChIInChI=1S/C17H23P/c1-13(2)8-6-9-14(3)15-10-7-11-16(12-15)17(4,5)18/h6-12H,1,18H2,2-5H3/b8-6-,14-9+
InChIKeyQSNQJRABLWBLCB-CURXYISGSA-N
MW258.35 g/mol
LogP5.33
Rot. Bonds4

About 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane

2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane (PubChem CID 137401537) has the molecular formula C17H23P and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane.

Molecular Properties

Compound Name2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane
PubChem CID137401537
Molecular FormulaC17H23P
Molecular Weight258.35 g/mol
Exact Mass258.15
IUPAC Name2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane
SMILESC=C(C)/C=C\C=C(/C)c1cccc(C(C)(C)P)c1
InChIInChI=1S/C17H23P/c1-13(2)8-6-9-14(3)15-10-7-11-16(12-15)17(4,5)18/h6-12H,1,18H2,2-5H3/b8-6-,14-9+
InChIKeyQSNQJRABLWBLCB-CURXYISGSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.35
LogP ≤ 55.33
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

1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde
CID 142830103
3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzenethiol
CID 170288116
1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole
CID 146541574
1,3-dichloro-2-methylbenzene;ethane;(3Z)-2-methylhexa-1,3,5-triene;1-methyl-3-(trifluoromethyl)benzene
CID 145397255
(3E,5E)-2-N-cyclopentyl-6-[3-(1,1-difluoroethyl)phenyl]-2-N-prop-1-en-2-ylhepta-1,3,5-triene-2,3-diamine
CID 137401611
[[3-[(1E)-1-ethoxy-2,3-dimethylbuta-1,3-dienyl]phenyl]-difluoromethyl]phosphane
CID 162549136
1-bromo-3-[(2E,4Z)-hexa-2,4-dien-2-yl]benzene
CID 137396566
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
CID 174069312
1-tert-butyl-3-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]benzene
CID 145083384

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane?
The IUPAC name of 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane (CID 137401537) is 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane.
What is the SMILES notation for 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane?
The canonical SMILES for 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane is C=C(C)/C=C\C=C(/C)c1cccc(C(C)(C)P)c1.
What is the InChIKey of 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane?
The InChIKey is QSNQJRABLWBLCB-CURXYISGSA-N. The full InChI is InChI=1S/C17H23P/c1-13(2)8-6-9-14(3)15-10-7-11-16(12-15)17(4,5)18/h6-12H,1,18H2,2-5H3/b8-6-,14-9+.
What are the key properties of 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane?
2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane has a molecular weight of 258.35 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]phenyl]propan-2-ylphosphane is sourced from PubChem (CID 137401537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).