1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane

C14H28P2 — CID 20643197

IUPAC1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane
SMILESCC1CCC(C)P1CCP1C(C)CCC1C
InChIInChI=1S/C14H28P2/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4/h11-14H,5-10H2,1-4H3
InChIKeyIRCDUOCGSIGEAI-UHFFFAOYSA-N
MW258.33 g/mol
LogP5.09
Rot. Bonds3

About 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane

1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane (PubChem CID 20643197) has the molecular formula C14H28P2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane
PubChem CID20643197
Molecular FormulaC14H28P2
Molecular Weight258.33 g/mol
Exact Mass258.17
IUPAC Name1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane
SMILESCC1CCC(C)P1CCP1C(C)CCC1C
InChIInChI=1S/C14H28P2/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4/h11-14H,5-10H2,1-4H3
InChIKeyIRCDUOCGSIGEAI-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.33
LogP ≤ 55.09
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

(2S,5S)-1-[1-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane
CID 141074063
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopentyl]-2,5-dimethylphospholane
CID 139306014
(2S)-1,2-dimethylphosphetane
CID 59207148
bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
CID 155884997
1,2-dimethylcyclobutane;pentane
CID 142846915
(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane
CID 11454879
(2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine
CID 140850167
3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene
CID 11427791
2-methyl-1,5-di(propan-2-yl)phospholane
CID 146200751
1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium
CID 59017162
ethane;methylcyclopropane
CID 158329065
2,5-diethyl-1-pentylphospholane
CID 140639652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane?
The IUPAC name of 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane (CID 20643197) is 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane.
What is the SMILES notation for 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane?
The canonical SMILES for 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane is CC1CCC(C)P1CCP1C(C)CCC1C.
What is the InChIKey of 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane?
The InChIKey is IRCDUOCGSIGEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28P2/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane?
1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane has a molecular weight of 258.33 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane is sourced from PubChem (CID 20643197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).