1,12-diphosphabicyclo[10.10.10]dotriacontane

C30H60P2 — CID 101355403

IUPAC1,12-diphosphabicyclo[10.10.10]dotriacontane
SMILESC1CCCCCP2CCCCCCCCCCP(CCCC1)CCCCCCCCCC2
InChIInChI=1S/C30H60P2/c1-2-8-14-20-26-32-29-23-17-11-5-3-9-15-21-27-31(25-19-13-7-1)28-22-16-10-4-6-12-18-24-30-32/h1-30H2
InChIKeyAKMPFHWYNGYMKP-UHFFFAOYSA-N
MW482.76 g/mol
LogP11.34
Rot. Bonds

About 1,12-diphosphabicyclo[10.10.10]dotriacontane

1,12-diphosphabicyclo[10.10.10]dotriacontane (PubChem CID 101355403) has the molecular formula C30H60P2 and a molecular weight of 482.76 g/mol. Its IUPAC name is 1,12-diphosphabicyclo[10.10.10]dotriacontane.

Molecular Properties

Compound Name1,12-diphosphabicyclo[10.10.10]dotriacontane
PubChem CID101355403
Molecular FormulaC30H60P2
Molecular Weight482.76 g/mol
Exact Mass482.42
IUPAC Name1,12-diphosphabicyclo[10.10.10]dotriacontane
SMILESC1CCCCCP2CCCCCCCCCCP(CCCC1)CCCCCCCCCC2
InChIInChI=1S/C30H60P2/c1-2-8-14-20-26-32-29-23-17-11-5-3-9-15-21-27-31(25-19-13-7-1)28-22-16-10-4-6-12-18-24-30-32/h1-30H2
InChIKeyAKMPFHWYNGYMKP-UHFFFAOYSA-N
XLogP11.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.76
LogP ≤ 511.34
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

1,22-diphosphabicyclo[20.20.20]dohexacontane
CID 101362119
(8E,23E,37E)-1,16-diphosphabicyclo[14.14.14]tetratetraconta-8,23,37-triene
CID 11262849
1-methylphosphocane
CID 129069924
1-aza-5-phosphabicyclo[3.3.2]decane
CID 23419022
cyclooctacosane
CID 520451
1-(phosphinan-1-yloxy)phosphinane
CID 88785849
cyclobutane;cyclopropane
CID 159057906
cyclooctane
CID 9266
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
CID 159212715
cyclopentane
CID 141332554
cycloheptane;cyclopropane
CID 165090184
cycloheptane;silane
CID 158344196

Frequently Asked Questions

What is the IUPAC name of 1,12-diphosphabicyclo[10.10.10]dotriacontane?
The IUPAC name of 1,12-diphosphabicyclo[10.10.10]dotriacontane (CID 101355403) is 1,12-diphosphabicyclo[10.10.10]dotriacontane.
What is the SMILES notation for 1,12-diphosphabicyclo[10.10.10]dotriacontane?
The canonical SMILES for 1,12-diphosphabicyclo[10.10.10]dotriacontane is C1CCCCCP2CCCCCCCCCCP(CCCC1)CCCCCCCCCC2.
What is the InChIKey of 1,12-diphosphabicyclo[10.10.10]dotriacontane?
The InChIKey is AKMPFHWYNGYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60P2/c1-2-8-14-20-26-32-29-23-17-11-5-3-9-15-21-27-31(25-19-13-7-1)28-22-16-10-4-6-12-18-24-30-32/h1-30H2.
What are the key properties of 1,12-diphosphabicyclo[10.10.10]dotriacontane?
1,12-diphosphabicyclo[10.10.10]dotriacontane has a molecular weight of 482.76 g/mol, XLogP of 11.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-diphosphabicyclo[10.10.10]dotriacontane is sourced from PubChem (CID 101355403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).