tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane

C16H36P2 — CID 143096477

IUPACtert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane
SMILESCC(C)(C)PCCCCC1CCCP1.CC(C)C
InChIInChI=1S/C12H26P2.C4H10/c1-12(2,3)14-10-5-4-7-11-8-6-9-13-11;1-4(2)3/h11,13-14H,4-10H2,1-3H3;4H,1-3H3
InChIKeyQHUCONJRRFTVDV-UHFFFAOYSA-N
MW290.41 g/mol
LogP6.14
Rot. Bonds5

About tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane

tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane (PubChem CID 143096477) has the molecular formula C16H36P2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane.

Molecular Properties

Compound Nametert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane
PubChem CID143096477
Molecular FormulaC16H36P2
Molecular Weight290.41 g/mol
Exact Mass290.23
IUPAC Nametert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane
SMILESCC(C)(C)PCCCCC1CCCP1.CC(C)C
InChIInChI=1S/C12H26P2.C4H10/c1-12(2,3)14-10-5-4-7-11-8-6-9-13-11;1-4(2)3/h11,13-14H,4-10H2,1-3H3;4H,1-3H3
InChIKeyQHUCONJRRFTVDV-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 134984577
CID 134984577
phosphinan-2-ylmethanol
CID 130394482
1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane
CID 143603204
13-methyltetradecylcyclopentane
CID 123698808
N-(2-cyclobutylethyl)-N-methylpropan-2-amine
CID 117044257
cyclobutane;cyclopentane;cyclopropane;bis(2,2-dimethylpropane);2-methylpropane
CID 157236678
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
4-methylpentylcyclopentane
CID 523530
3-cyclopentyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 21034246
5-cyclobutylpentylcyclobutane
CID 173228999

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane?
The IUPAC name of tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane (CID 143096477) is tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane.
What is the SMILES notation for tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane?
The canonical SMILES for tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane is CC(C)(C)PCCCCC1CCCP1.CC(C)C.
What is the InChIKey of tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane?
The InChIKey is QHUCONJRRFTVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26P2.C4H10/c1-12(2,3)14-10-5-4-7-11-8-6-9-13-11;1-4(2)3/h11,13-14H,4-10H2,1-3H3;4H,1-3H3.
What are the key properties of tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane?
tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane has a molecular weight of 290.41 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(phospholan-2-yl)butyl]phosphane;2-methylpropane is sourced from PubChem (CID 143096477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).