tetra(cyclododecen-1-yl)-methyl-λ5-phosphane

C49H87P — CID 66815769

IUPACtetra(cyclododecen-1-yl)-methyl-λ5-phosphane
SMILESCP(C1=CCCCCCCCCCC1)(C1=CCCCCCCCCCC1)(C1=CCCCCCCCCCC1)C1=CCCCCCCCCCC1
InChIInChI=1S/C49H87P/c1-50(46-38-30-22-14-6-2-7-15-23-31-39-46,47-40-32-24-16-8-3-9-17-25-33-41-47,48-42-34-26-18-10-4-11-19-27-35-43-48)49-44-36-28-20-12-5-13-21-29-37-45-49/h38,40,42,44H,2-37,39,41,43,45H2,1H3
InChIKeyNVDGDAFQDQQGKB-UHFFFAOYSA-N
MW707.21 g/mol
LogP18.36
Rot. Bonds4

About tetra(cyclododecen-1-yl)-methyl-λ5-phosphane

tetra(cyclododecen-1-yl)-methyl-λ5-phosphane (PubChem CID 66815769) has the molecular formula C49H87P and a molecular weight of 707.21 g/mol. Its IUPAC name is tetra(cyclododecen-1-yl)-methyl-λ5-phosphane.

Molecular Properties

Compound Nametetra(cyclododecen-1-yl)-methyl-λ5-phosphane
PubChem CID66815769
Molecular FormulaC49H87P
Molecular Weight707.21 g/mol
Exact Mass706.65
IUPAC Nametetra(cyclododecen-1-yl)-methyl-λ5-phosphane
SMILESCP(C1=CCCCCCCCCCC1)(C1=CCCCCCCCCCC1)(C1=CCCCCCCCCCC1)C1=CCCCCCCCCCC1
InChIInChI=1S/C49H87P/c1-50(46-38-30-22-14-6-2-7-15-23-31-39-46,47-40-32-24-16-8-3-9-17-25-33-41-47,48-42-34-26-18-10-4-11-19-27-35-43-48)49-44-36-28-20-12-5-13-21-29-37-45-49/h38,40,42,44H,2-37,39,41,43,45H2,1H3
InChIKeyNVDGDAFQDQQGKB-UHFFFAOYSA-N
XLogP18.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.21
LogP ≤ 518.36
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

(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
carbanide;(1Z)-1-methylcyclooctene;platinum(2+)
CID 170661208
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
(1E)-1-methoxycyclotridecene
CID 5463530
(1E)-1-methoxycyclotetradecene
CID 164771746
(1E)-cyclotridecen-1-amine
CID 141088485
(1E,8E)-1,8-dibromocyclotetradeca-1,8-diene
CID 11792107
1-methylcyclohexene;hydrofluoride
CID 157219805
(1E)-1-iodocyclononene
CID 169083106
cyclohexadecen-1-amine
CID 175415425
(1Z)-cyclododecen-1-ol
CID 69035385

Frequently Asked Questions

What is the IUPAC name of tetra(cyclododecen-1-yl)-methyl-λ5-phosphane?
The IUPAC name of tetra(cyclododecen-1-yl)-methyl-λ5-phosphane (CID 66815769) is tetra(cyclododecen-1-yl)-methyl-λ5-phosphane.
What is the SMILES notation for tetra(cyclododecen-1-yl)-methyl-λ5-phosphane?
The canonical SMILES for tetra(cyclododecen-1-yl)-methyl-λ5-phosphane is CP(C1=CCCCCCCCCCC1)(C1=CCCCCCCCCCC1)(C1=CCCCCCCCCCC1)C1=CCCCCCCCCCC1.
What is the InChIKey of tetra(cyclododecen-1-yl)-methyl-λ5-phosphane?
The InChIKey is NVDGDAFQDQQGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H87P/c1-50(46-38-30-22-14-6-2-7-15-23-31-39-46,47-40-32-24-16-8-3-9-17-25-33-41-47,48-42-34-26-18-10-4-11-19-27-35-43-48)49-44-36-28-20-12-5-13-21-29-37-45-49/h38,40,42,44H,2-37,39,41,43,45H2,1H3.
What are the key properties of tetra(cyclododecen-1-yl)-methyl-λ5-phosphane?
tetra(cyclododecen-1-yl)-methyl-λ5-phosphane has a molecular weight of 707.21 g/mol, XLogP of 18.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetra(cyclododecen-1-yl)-methyl-λ5-phosphane is sourced from PubChem (CID 66815769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).