ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane

C14H25OP — CID 174784035

IUPACditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane
SMILESCOC1C=CC=C1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25OP/c1-13(2,3)16(14(4,5)6)12-10-8-9-11(12)15-7/h8-11H,1-7H3
InChIKeySBZJDLZRGBQKFJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.53
Rot. Bonds2

About ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane

ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane (PubChem CID 174784035) has the molecular formula C14H25OP and a molecular weight of 240.33 g/mol. Its IUPAC name is ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane
PubChem CID174784035
Molecular FormulaC14H25OP
Molecular Weight240.33 g/mol
Exact Mass240.16
IUPAC Nameditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane
SMILESCOC1C=CC=C1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25OP/c1-13(2,3)16(14(4,5)6)12-10-8-9-11(12)15-7/h8-11H,1-7H3
InChIKeySBZJDLZRGBQKFJ-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-6-methylidene-1-phenylcyclohexa-1,3-diene
CID 141284582
1-(5-methoxy-6-methylidenecyclohexa-1,3-dien-1-yl)ethanone
CID 173316011
6-ethyl-5-methoxycyclohepta-1,3,6-triene-1-carbaldehyde
CID 143029223
2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine
CID 171538349
5-methoxy-6-sulfonylcyclohexa-1,3-diene
CID 54181841
ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310500
(6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene
CID 90975876
[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane
CID 175963525
(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 131977860
5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene
CID 23678565
(5-tert-butylsulfanylcyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 102357317
[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenta-2,4-dien-1-yl]methyl-ditert-butylphosphane
CID 87228412

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane?
The IUPAC name of ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane (CID 174784035) is ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane.
What is the SMILES notation for ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane?
The canonical SMILES for ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane is COC1C=CC=C1P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane?
The InChIKey is SBZJDLZRGBQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25OP/c1-13(2,3)16(14(4,5)6)12-10-8-9-11(12)15-7/h8-11H,1-7H3.
What are the key properties of ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane?
ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane has a molecular weight of 240.33 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(5-methoxycyclopenta-1,3-dien-1-yl)phosphane is sourced from PubChem (CID 174784035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).