[4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane

C13H27P — CID 139972828

IUPAC[4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane
SMILESCCC(C)(C)C(=CCP)C(C)(C)CC
InChIInChI=1S/C13H27P/c1-7-12(3,4)11(9-10-14)13(5,6)8-2/h9H,7-8,10,14H2,1-6H3
InChIKeyISBFVQYGHPNCHA-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.66
Rot. Bonds5

About [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane

[4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane (PubChem CID 139972828) has the molecular formula C13H27P and a molecular weight of 214.33 g/mol. Its IUPAC name is [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane.

Molecular Properties

Compound Name[4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane
PubChem CID139972828
Molecular FormulaC13H27P
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Name[4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane
SMILESCCC(C)(C)C(=CCP)C(C)(C)CC
InChIInChI=1S/C13H27P/c1-7-12(3,4)11(9-10-14)13(5,6)8-2/h9H,7-8,10,14H2,1-6H3
InChIKeyISBFVQYGHPNCHA-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3,3-dimethyl-2-(2-methylbutan-2-yl)pent-1-enyl]phosphane
CID 139972854
(Z)-4-fluoro-3,3-dimethyloct-4-ene
CID 170342659
3,3,5,5-tetramethylheptan-4-one
CID 18520351
5,5-dimethylhept-1-en-4-one
CID 58805574
(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine
CID 126725525
3,3-dimethylpent-1-ene-1,2-diamine
CID 174763038
2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one
CID 130387545
2,2-dimethylbutanoic acid;methane
CID 159782886
8-ethyl-3,3,4,7,8-pentamethyldec-4-ene
CID 123972769
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
(E)-5,5-dimethylhept-2-en-4-one
CID 88902655
(E)-3,8,8-trimethyldec-2-ene-4,7-dione
CID 129132648

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane?
The IUPAC name of [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane (CID 139972828) is [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane.
What is the SMILES notation for [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane?
The canonical SMILES for [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane is CCC(C)(C)C(=CCP)C(C)(C)CC.
What is the InChIKey of [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane?
The InChIKey is ISBFVQYGHPNCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27P/c1-7-12(3,4)11(9-10-14)13(5,6)8-2/h9H,7-8,10,14H2,1-6H3.
What are the key properties of [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane?
[4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane has a molecular weight of 214.33 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-3-(2-methylbutan-2-yl)hex-2-enyl]phosphane is sourced from PubChem (CID 139972828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).