bis(1,2-bis(2-methylpropyl)phosphinane);methane

C27H58P2 — CID 175546679

IUPACbis(1,2-bis(2-methylpropyl)phosphinane);methane
SMILESC.CC(C)CC1CCCCP1CC(C)C.CC(C)CC1CCCCP1CC(C)C
InChIInChI=1S/2C13H27P.CH4/c2*1-11(2)9-13-7-5-6-8-14(13)10-12(3)4;/h2*11-13H,5-10H2,1-4H3;1H4
InChIKeyKIJLFEFCPRNRPI-UHFFFAOYSA-N
MW444.71 g/mol
LogP10.08
Rot. Bonds8

About bis(1,2-bis(2-methylpropyl)phosphinane);methane

bis(1,2-bis(2-methylpropyl)phosphinane);methane (PubChem CID 175546679) has the molecular formula C27H58P2 and a molecular weight of 444.71 g/mol. Its IUPAC name is bis(1,2-bis(2-methylpropyl)phosphinane);methane.

Molecular Properties

Compound Namebis(1,2-bis(2-methylpropyl)phosphinane);methane
PubChem CID175546679
Molecular FormulaC27H58P2
Molecular Weight444.71 g/mol
Exact Mass444.40
IUPAC Namebis(1,2-bis(2-methylpropyl)phosphinane);methane
SMILESC.CC(C)CC1CCCCP1CC(C)C.CC(C)CC1CCCCP1CC(C)C
InChIInChI=1S/2C13H27P.CH4/c2*1-11(2)9-13-7-5-6-8-14(13)10-12(3)4;/h2*11-13H,5-10H2,1-4H3;1H4
InChIKeyKIJLFEFCPRNRPI-UHFFFAOYSA-N
XLogP10.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1,2-bis(2-methylpropyl)phosphinane);methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpropyl)-2-pentylphospholane
CID 138644939
methane;2-methylpropylcyclopentane
CID 161254337
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
CID 59105659
6-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 154519615
1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane
CID 59745597
(2R)-2-ethyl-1-[1-[(2R)-2-ethylphospholan-1-yl]ethyl]phospholane
CID 134344217
(2R)-2-(2-methylpropyl)oxane
CID 58653197

Frequently Asked Questions

What is the IUPAC name of bis(1,2-bis(2-methylpropyl)phosphinane);methane?
The IUPAC name of bis(1,2-bis(2-methylpropyl)phosphinane);methane (CID 175546679) is bis(1,2-bis(2-methylpropyl)phosphinane);methane.
What is the SMILES notation for bis(1,2-bis(2-methylpropyl)phosphinane);methane?
The canonical SMILES for bis(1,2-bis(2-methylpropyl)phosphinane);methane is C.CC(C)CC1CCCCP1CC(C)C.CC(C)CC1CCCCP1CC(C)C.
What is the InChIKey of bis(1,2-bis(2-methylpropyl)phosphinane);methane?
The InChIKey is KIJLFEFCPRNRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27P.CH4/c2*1-11(2)9-13-7-5-6-8-14(13)10-12(3)4;/h2*11-13H,5-10H2,1-4H3;1H4.
What are the key properties of bis(1,2-bis(2-methylpropyl)phosphinane);methane?
bis(1,2-bis(2-methylpropyl)phosphinane);methane has a molecular weight of 444.71 g/mol, XLogP of 10.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-bis(2-methylpropyl)phosphinane);methane is sourced from PubChem (CID 175546679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).