[3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane

C17H32P2 — CID 166834428

IUPAC[3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane
SMILESCCC(C)C(P)C(P)C(C)C(C)CC1=CCC=C1C
InChIInChI=1S/C17H32P2/c1-6-11(2)16(18)17(19)14(5)13(4)10-15-9-7-8-12(15)3/h8-9,11,13-14,16-17H,6-7,10,18-19H2,1-5H3
InChIKeyMFQJCJMZBKPHGG-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.46
Rot. Bonds7

About [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane

[3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane (PubChem CID 166834428) has the molecular formula C17H32P2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane.

Molecular Properties

Compound Name[3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane
PubChem CID166834428
Molecular FormulaC17H32P2
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name[3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane
SMILESCCC(C)C(P)C(P)C(C)C(C)CC1=CCC=C1C
InChIInChI=1S/C17H32P2/c1-6-11(2)16(18)17(19)14(5)13(4)10-15-9-7-8-12(15)3/h8-9,11,13-14,16-17H,6-7,10,18-19H2,1-5H3
InChIKeyMFQJCJMZBKPHGG-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane with MolForge

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Related Compounds

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CID 143923068
5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene
CID 91336827
CID 91437014
CID 91437014
1-(1-chloro-2-methylbutyl)-2,3,4,5,6-pentamethylbenzene
CID 63430342
cyclobutane;2,3-dimethylpentane
CID 145154125
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(5-methylcyclopenta-1,4-dien-1-yl)-tripropoxysilane
CID 87079231
2-methyl-1-(5-methylfuran-3-yl)butan-1-ol
CID 115823362
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
5,6-dimethyl-3H-azepine
CID 54481058

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane?
The IUPAC name of [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane (CID 166834428) is [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane.
What is the SMILES notation for [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane?
The canonical SMILES for [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane is CCC(C)C(P)C(P)C(C)C(C)CC1=CCC=C1C.
What is the InChIKey of [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane?
The InChIKey is MFQJCJMZBKPHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32P2/c1-6-11(2)16(18)17(19)14(5)13(4)10-15-9-7-8-12(15)3/h8-9,11,13-14,16-17H,6-7,10,18-19H2,1-5H3.
What are the key properties of [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane?
[3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane has a molecular weight of 298.39 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane is sourced from PubChem (CID 166834428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).