ethane;3-propylhexan-2-ylphosphane

C11H27P — CID 145493005

IUPACethane;3-propylhexan-2-ylphosphane
SMILESCC.CCCC(CCC)C(C)P
InChIInChI=1S/C9H21P.C2H6/c1-4-6-9(7-5-2)8(3)10;1-2/h8-9H,4-7,10H2,1-3H3;1-2H3
InChIKeyWGTCCDZVGZNYDL-UHFFFAOYSA-N
MW190.31 g/mol
LogP4.49
Rot. Bonds5

About ethane;3-propylhexan-2-ylphosphane

ethane;3-propylhexan-2-ylphosphane (PubChem CID 145493005) has the molecular formula C11H27P and a molecular weight of 190.31 g/mol. Its IUPAC name is ethane;3-propylhexan-2-ylphosphane.

Molecular Properties

Compound Nameethane;3-propylhexan-2-ylphosphane
PubChem CID145493005
Molecular FormulaC11H27P
Molecular Weight190.31 g/mol
Exact Mass190.19
IUPAC Nameethane;3-propylhexan-2-ylphosphane
SMILESCC.CCCC(CCC)C(C)P
InChIInChI=1S/C9H21P.C2H6/c1-4-6-9(7-5-2)8(3)10;1-2/h8-9H,4-7,10H2,1-3H3;1-2H3
InChIKeyWGTCCDZVGZNYDL-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 54.49
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

pentan-2-ylphosphane
CID 22981481
3,4-diethylheptane;ethane
CID 144734225
ethane;2-methylpentane
CID 143713716
4,5-diethyloctane
CID 519254
ethane;2-propan-2-ylpentan-1-amine
CID 153346460
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
(3R)-3-ethyl-2-methylhexane
CID 59954424
2-methylhexan-3-ylphosphane;dihydrochloride
CID 88799902
ethane;methane;bis(2-methylpentane)
CID 142143156
4-propan-2-yl-5-propylnonane
CID 54297700
3-ethyl-2-methanidylhexane
CID 90757156
3-methylheptan-4-ylphosphane
CID 178108210

Frequently Asked Questions

What is the IUPAC name of ethane;3-propylhexan-2-ylphosphane?
The IUPAC name of ethane;3-propylhexan-2-ylphosphane (CID 145493005) is ethane;3-propylhexan-2-ylphosphane.
What is the SMILES notation for ethane;3-propylhexan-2-ylphosphane?
The canonical SMILES for ethane;3-propylhexan-2-ylphosphane is CC.CCCC(CCC)C(C)P.
What is the InChIKey of ethane;3-propylhexan-2-ylphosphane?
The InChIKey is WGTCCDZVGZNYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21P.C2H6/c1-4-6-9(7-5-2)8(3)10;1-2/h8-9H,4-7,10H2,1-3H3;1-2H3.
What are the key properties of ethane;3-propylhexan-2-ylphosphane?
ethane;3-propylhexan-2-ylphosphane has a molecular weight of 190.31 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propylhexan-2-ylphosphane is sourced from PubChem (CID 145493005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).