(2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane

C16H30P2 — CID 171560754

IUPAC(2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane
SMILESC[C@H]1CCCP1C1CCC[C@H]1P1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C16H30P2/c1-12-6-5-11-17(12)15-7-4-8-16(15)18-13(2)9-10-14(18)3/h12-16H,4-11H2,1-3H3/t12-,13-,14-,15?,16+,17?/m0/s1
InChIKeyQJTHWFZVQVPBOZ-JKKVVXSLSA-N
MW284.36 g/mol
LogP5.62
Rot. Bonds2

About (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane

(2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane (PubChem CID 171560754) has the molecular formula C16H30P2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane
PubChem CID171560754
Molecular FormulaC16H30P2
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name(2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane
SMILESC[C@H]1CCCP1C1CCC[C@H]1P1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C16H30P2/c1-12-6-5-11-17(12)15-7-4-8-16(15)18-13(2)9-10-14(18)3/h12-16H,4-11H2,1-3H3/t12-,13-,14-,15?,16+,17?/m0/s1
InChIKeyQJTHWFZVQVPBOZ-JKKVVXSLSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.62
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

(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopentyl]-2,5-dimethylphospholane
CID 139306014
(2R,5R)-2,5-diethyl-1-[2-[(2R)-2-ethylphospholan-1-yl]cyclopentyl]phospholane
CID 134577138
bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
CID 155884997
(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane
CID 58900685
2-methyl-1-methylsulfanylphospholane
CID 143295123
3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione
CID 143082940
(1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane
CID 158209000
carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)
CID 162281940
(2S)-1,2-dimethylphosphetane
CID 59207148
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane?
The IUPAC name of (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane (CID 171560754) is (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane?
The canonical SMILES for (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane is C[C@H]1CCCP1C1CCC[C@H]1P1[C@@H](C)CC[C@@H]1C.
What is the InChIKey of (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane?
The InChIKey is QJTHWFZVQVPBOZ-JKKVVXSLSA-N. The full InChI is InChI=1S/C16H30P2/c1-12-6-5-11-17(12)15-7-4-8-16(15)18-13(2)9-10-14(18)3/h12-16H,4-11H2,1-3H3/t12-,13-,14-,15?,16+,17?/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane?
(2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane has a molecular weight of 284.36 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane is sourced from PubChem (CID 171560754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).