benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane

C23H29P — CID 141415068

IUPACbenzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane
SMILESCC1C=CC=CC1(C)P(Cc1ccccc1)C1(C)C=CC=CC1C
InChIInChI=1S/C23H29P/c1-19-12-8-10-16-22(19,3)24(18-21-14-6-5-7-15-21)23(4)17-11-9-13-20(23)2/h5-17,19-20H,18H2,1-4H3
InChIKeyHUASQMUFEMEPKC-UHFFFAOYSA-N
MW336.46 g/mol
LogP6.71
Rot. Bonds4

About benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane

benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane (PubChem CID 141415068) has the molecular formula C23H29P and a molecular weight of 336.46 g/mol. Its IUPAC name is benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane.

Molecular Properties

Compound Namebenzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane
PubChem CID141415068
Molecular FormulaC23H29P
Molecular Weight336.46 g/mol
Exact Mass336.20
IUPAC Namebenzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane
SMILESCC1C=CC=CC1(C)P(Cc1ccccc1)C1(C)C=CC=CC1C
InChIInChI=1S/C23H29P/c1-19-12-8-10-16-22(19,3)24(18-21-14-6-5-7-15-21)23(4)17-11-9-13-20(23)2/h5-17,19-20H,18H2,1-4H3
InChIKeyHUASQMUFEMEPKC-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 56.71
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

N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
CID 141131054
(1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane
CID 141415091
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
1,1'-biphenyl;bis(bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)-trihydroxy-λ5-phosphane)
CID 160613277
2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 174271092
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene
CID 141380218
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
bis(1-adamantyl)-benzylphosphane;palladium
CID 87886000
1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene
CID 123947128
palladium;bis(tribenzylphosphane)
CID 87652258
5-chloro-5-methyl-6-phenylcyclohexa-1,3-diene
CID 70549664
(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 154355270

Frequently Asked Questions

What is the IUPAC name of benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane?
The IUPAC name of benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane (CID 141415068) is benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane.
What is the SMILES notation for benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane?
The canonical SMILES for benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane is CC1C=CC=CC1(C)P(Cc1ccccc1)C1(C)C=CC=CC1C.
What is the InChIKey of benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane?
The InChIKey is HUASQMUFEMEPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29P/c1-19-12-8-10-16-22(19,3)24(18-21-14-6-5-7-15-21)23(4)17-11-9-13-20(23)2/h5-17,19-20H,18H2,1-4H3.
What are the key properties of benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane?
benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane has a molecular weight of 336.46 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane is sourced from PubChem (CID 141415068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).