[(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane

C23H39OP — CID 143183672

IUPAC[(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane
SMILESCC/C=C(/CCP)OCc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C23H39OP/c1-8-9-20(14-15-25)24-17-18-10-12-19(13-11-18)21(23(5,6)7)16-22(2,3)4/h9-13,21H,8,14-17,25H2,1-7H3/b20-9-
InChIKeyAYTHWIUBSNYMPT-UKWGHVSLSA-N
MW362.54 g/mol
LogP7.33
Rot. Bonds8

About [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane

[(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane (PubChem CID 143183672) has the molecular formula C23H39OP and a molecular weight of 362.54 g/mol. Its IUPAC name is [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane.

Molecular Properties

Compound Name[(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane
PubChem CID143183672
Molecular FormulaC23H39OP
Molecular Weight362.54 g/mol
Exact Mass362.27
IUPAC Name[(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane
SMILESCC/C=C(/CCP)OCc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C23H39OP/c1-8-9-20(14-15-25)24-17-18-10-12-19(13-11-18)21(23(5,6)7)16-22(2,3)4/h9-13,21H,8,14-17,25H2,1-7H3/b20-9-
InChIKeyAYTHWIUBSNYMPT-UKWGHVSLSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.54
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine
CID 146530606
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
methyl 4-(2,2,5,5-tetramethylhexan-3-yl)benzoate
CID 71131717
[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 71033304
[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane
CID 134293506
1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123795245
[4-(2,5,5-trimethylhexan-3-yl)phenyl]methyl 2-methylprop-2-enoate
CID 143828541

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane?
The IUPAC name of [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane (CID 143183672) is [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane.
What is the SMILES notation for [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane?
The canonical SMILES for [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane is CC/C=C(/CCP)OCc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane?
The InChIKey is AYTHWIUBSNYMPT-UKWGHVSLSA-N. The full InChI is InChI=1S/C23H39OP/c1-8-9-20(14-15-25)24-17-18-10-12-19(13-11-18)21(23(5,6)7)16-22(2,3)4/h9-13,21H,8,14-17,25H2,1-7H3/b20-9-.
What are the key properties of [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane?
[(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane has a molecular weight of 362.54 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]hex-3-enyl]phosphane is sourced from PubChem (CID 143183672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).