2-methyl-3-phosphorosooctane

C9H19OP — CID 151124032

IUPAC2-methyl-3-phosphorosooctane
SMILESCCCCCC(P=O)C(C)C
InChIInChI=1S/C9H19OP/c1-4-5-6-7-9(11-10)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyMSUNUSIGPOZOCX-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.88
Rot. Bonds6

About 2-methyl-3-phosphorosooctane

2-methyl-3-phosphorosooctane (PubChem CID 151124032) has the molecular formula C9H19OP and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-methyl-3-phosphorosooctane.

Molecular Properties

Compound Name2-methyl-3-phosphorosooctane
PubChem CID151124032
Molecular FormulaC9H19OP
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name2-methyl-3-phosphorosooctane
SMILESCCCCCC(P=O)C(C)C
InChIInChI=1S/C9H19OP/c1-4-5-6-7-9(11-10)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyMSUNUSIGPOZOCX-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-phosphorosononadecane
CID 89306253
3-phosphorosoicosane
CID 88666329
2-methyl-3-propan-2-yltetradecane
CID 154298453
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
2,3-dimethylnonacosane
CID 71331945
2-methyloctacosane
CID 519147
8,9-dimethylhexacosane
CID 160651612
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
heptan-2-ylphosphanium
CID 22349024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phosphorosooctane?
The IUPAC name of 2-methyl-3-phosphorosooctane (CID 151124032) is 2-methyl-3-phosphorosooctane.
What is the SMILES notation for 2-methyl-3-phosphorosooctane?
The canonical SMILES for 2-methyl-3-phosphorosooctane is CCCCCC(P=O)C(C)C.
What is the InChIKey of 2-methyl-3-phosphorosooctane?
The InChIKey is MSUNUSIGPOZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19OP/c1-4-5-6-7-9(11-10)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-phosphorosooctane?
2-methyl-3-phosphorosooctane has a molecular weight of 174.22 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phosphorosooctane is sourced from PubChem (CID 151124032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).