(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane

C17H33P — CID 166973641

IUPAC(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane
SMILESCCC1(P2C(C(C)C)CC[C@H]2C(C)C)CCCC1
InChIInChI=1S/C17H33P/c1-6-17(11-7-8-12-17)18-15(13(2)3)9-10-16(18)14(4)5/h13-16H,6-12H2,1-5H3/t15-,16?,18?/m0/s1
InChIKeyZOLGRJLUNYRWLO-HJOIGYKYSA-N
MW268.42 g/mol
LogP6.03
Rot. Bonds4

About (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane

(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane (PubChem CID 166973641) has the molecular formula C17H33P and a molecular weight of 268.42 g/mol. Its IUPAC name is (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane.

Molecular Properties

Compound Name(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane
PubChem CID166973641
Molecular FormulaC17H33P
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane
SMILESCCC1(P2C(C(C)C)CC[C@H]2C(C)C)CCCC1
InChIInChI=1S/C17H33P/c1-6-17(11-7-8-12-17)18-15(13(2)3)9-10-16(18)14(4)5/h13-16H,6-12H2,1-5H3/t15-,16?,18?/m0/s1
InChIKeyZOLGRJLUNYRWLO-HJOIGYKYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 56.03
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

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
(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane
CID 90716246
1-(2-tert-butyl-1-ethylcyclononyl)ethanamine
CID 155042736
1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane
CID 166077246
propane;propan-2-ylcyclopentane
CID 91615250
1-ethylcyclohexane-1,2-diamine
CID 67021542
2-(1,2-diethylcyclohexyl)propanedioic acid
CID 69475153
1-ethyl-2-(2-methylpropyl)cyclopentan-1-ol
CID 118116479
1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
CID 57084439
[1,2-di(propan-2-yl)cyclohexyl]phosphane
CID 66647929
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
1,1,2,2,3-pentaethylcyclohexane
CID 54223237

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane?
The IUPAC name of (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane (CID 166973641) is (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane.
What is the SMILES notation for (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane?
The canonical SMILES for (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane is CCC1(P2C(C(C)C)CC[C@H]2C(C)C)CCCC1.
What is the InChIKey of (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane?
The InChIKey is ZOLGRJLUNYRWLO-HJOIGYKYSA-N. The full InChI is InChI=1S/C17H33P/c1-6-17(11-7-8-12-17)18-15(13(2)3)9-10-16(18)14(4)5/h13-16H,6-12H2,1-5H3/t15-,16?,18?/m0/s1.
What are the key properties of (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane?
(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane has a molecular weight of 268.42 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane is sourced from PubChem (CID 166973641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).