1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane

C16H34P2 — CID 143603204

IUPAC1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane
SMILESCC(C)(C)P1CCCC1C1CCCP1.CC(C)C
InChIInChI=1S/C12H24P2.C4H10/c1-12(2,3)14-9-5-7-11(14)10-6-4-8-13-10;1-4(2)3/h10-11,13H,4-9H2,1-3H3;4H,1-3H3
InChIKeyIGELRBUVVCAJNI-UHFFFAOYSA-N
MW288.40 g/mol
LogP5.93
Rot. Bonds1

About 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane

1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane (PubChem CID 143603204) has the molecular formula C16H34P2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane.

Molecular Properties

Compound Name1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane
PubChem CID143603204
Molecular FormulaC16H34P2
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane
SMILESCC(C)(C)P1CCCC1C1CCCP1.CC(C)C
InChIInChI=1S/C12H24P2.C4H10/c1-12(2,3)14-9-5-7-11(14)10-6-4-8-13-10;1-4(2)3/h10-11,13H,4-9H2,1-3H3;4H,1-3H3
InChIKeyIGELRBUVVCAJNI-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.40
LogP ≤ 55.93
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

(1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane
CID 158209000
tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane
CID 143096477
1,2-ditert-butyl-2-(phospholan-2-yl)phospholane
CID 91331862
(4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11578864
cyclobutane;cyclopentane;cyclopropane;bis(2,2-dimethylpropane);2-methylpropane
CID 157236678
N-cyclopropyl-N-(2,3-dimethylbutan-2-yl)cyclobutanamine
CID 134573917
2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 113481753
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
1-tert-butyl-2-propan-2-ylborinane
CID 20728126
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81370950
CID 171375193
CID 171375193

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane?
The IUPAC name of 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane (CID 143603204) is 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane.
What is the SMILES notation for 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane?
The canonical SMILES for 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane is CC(C)(C)P1CCCC1C1CCCP1.CC(C)C.
What is the InChIKey of 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane?
The InChIKey is IGELRBUVVCAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24P2.C4H10/c1-12(2,3)14-9-5-7-11(14)10-6-4-8-13-10;1-4(2)3/h10-11,13H,4-9H2,1-3H3;4H,1-3H3.
What are the key properties of 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane?
1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane has a molecular weight of 288.40 g/mol, XLogP of 5.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane is sourced from PubChem (CID 143603204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).