[3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane

C12H25P — CID 139972854

IUPAC[3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane
SMILESCCC(C)(C)C(=CP)C(C)(C)CC
InChIInChI=1S/C12H25P/c1-7-11(3,4)10(9-13)12(5,6)8-2/h9H,7-8,13H2,1-6H3
InChIKeyBTVDDGPQIAPLEU-UHFFFAOYSA-N
MW200.31 g/mol
LogP4.62
Rot. Bonds4

About [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane

[3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane (PubChem CID 139972854) has the molecular formula C12H25P and a molecular weight of 200.31 g/mol. Its IUPAC name is [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane.

Molecular Properties

Compound Name[3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane
PubChem CID139972854
Molecular FormulaC12H25P
Molecular Weight200.31 g/mol
Exact Mass200.17
IUPAC Name[3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane
SMILESCCC(C)(C)C(=CP)C(C)(C)CC
InChIInChI=1S/C12H25P/c1-7-11(3,4)10(9-13)12(5,6)8-2/h9H,7-8,13H2,1-6H3
InChIKeyBTVDDGPQIAPLEU-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 54.62
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

[4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane
CID 139972828
3,3,5,5-tetramethylheptan-4-one
CID 18520351
(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine
CID 126725525
3,3-dimethylpent-1-ene-1,2-diamine
CID 174763038
2,2-dimethylbutanoic acid;methane
CID 159782886
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
(Z)-4-fluoro-3,3-dimethyloct-4-ene
CID 170342659
(E)-5,5-dimethylhept-2-en-4-one
CID 88902655
carbanylium;2,2-dimethylbutanoate
CID 157088844
azanium 2,2-dimethylbutanoate
CID 90967382
copper bis(2,2-dimethylbutanoate)
CID 158983078
carbanide;2,2-dimethylbutanoic acid;yttrium
CID 58937622

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane?
The IUPAC name of [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane (CID 139972854) is [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane.
What is the SMILES notation for [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane?
The canonical SMILES for [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane is CCC(C)(C)C(=CP)C(C)(C)CC.
What is the InChIKey of [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane?
The InChIKey is BTVDDGPQIAPLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25P/c1-7-11(3,4)10(9-13)12(5,6)8-2/h9H,7-8,13H2,1-6H3.
What are the key properties of [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane?
[3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane has a molecular weight of 200.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane is sourced from PubChem (CID 139972854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).