1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane

C19H38P2 — CID 141449452

IUPAC1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane
SMILESCCCC(CCC)(P1CCCC1(C)C)P1CCCC1(C)C
InChIInChI=1S/C19H38P2/c1-7-11-19(12-8-2,20-15-9-13-17(20,3)4)21-16-10-14-18(21,5)6/h7-16H2,1-6H3
InChIKeyNBPLABYJVNLEHX-UHFFFAOYSA-N
MW328.46 g/mol
LogP7.39
Rot. Bonds6

About 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane

1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane (PubChem CID 141449452) has the molecular formula C19H38P2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane.

Molecular Properties

Compound Name1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane
PubChem CID141449452
Molecular FormulaC19H38P2
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane
SMILESCCCC(CCC)(P1CCCC1(C)C)P1CCCC1(C)C
InChIInChI=1S/C19H38P2/c1-7-11-19(12-8-2,20-15-9-13-17(20,3)4)21-16-10-14-18(21,5)6/h7-16H2,1-6H3
InChIKeyNBPLABYJVNLEHX-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 57.39
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

Et-bpe, (R,R)-
CID 11433485
1,2-Bis((2S,5S)-2,5-di-i-propylphospholano)ethane
CID 11643551
1,2-Bis((2R,5R)-2,5-di-i-propylphospholano)ethane
CID 11707202
(-)-1,2-Bis((2S,5S)-2,5-diethylphospholano)ethane
CID 15700985
(2R)-1-tert-butyl-2-[(2R)-1-tert-butylphospholan-2-yl]phospholane
CID 16717654
(S,S',R,R')-TangPhos
CID 10149434
(1R,2S)-1-tert-butyl-2-[(1R,2S)-1-tert-butylphospholan-2-yl]phospholane
CID 11673654
(1S,2R)-1-tert-butyl-2-[(1S)-1-tert-butylphospholan-2-yl]phospholane
CID 129111594
(1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane
CID 134856672
(2S,5R)-1-[2-[(2R,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane
CID 97684603
(1R,2R)-1-tert-butyl-2-[(1R,2S)-1-tert-butylphospholan-2-yl]phospholane
CID 134859972
(2R,5R)-1-[2-[(2R,4R)-2,4-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane
CID 134992506

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane?
The IUPAC name of 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane (CID 141449452) is 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane.
What is the SMILES notation for 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane?
The canonical SMILES for 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane is CCCC(CCC)(P1CCCC1(C)C)P1CCCC1(C)C.
What is the InChIKey of 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane?
The InChIKey is NBPLABYJVNLEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38P2/c1-7-11-19(12-8-2,20-15-9-13-17(20,3)4)21-16-10-14-18(21,5)6/h7-16H2,1-6H3.
What are the key properties of 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane?
1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane has a molecular weight of 328.46 g/mol, XLogP of 7.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylphospholan-1-yl)heptan-4-yl]-2,2-dimethylphospholane is sourced from PubChem (CID 141449452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).