2-methyl-3-phosphorosooxypentane

C6H13O2P — CID 175519901

IUPAC2-methyl-3-phosphorosooxypentane
SMILESCCC(OP=O)C(C)C
InChIInChI=1S/C6H13O2P/c1-4-6(5(2)3)8-9-7/h5-6H,4H2,1-3H3
InChIKeySCQJQSUGKWNFLX-UHFFFAOYSA-N
MW148.14 g/mol
LogP2.64
Rot. Bonds4

About 2-methyl-3-phosphorosooxypentane

2-methyl-3-phosphorosooxypentane (PubChem CID 175519901) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is 2-methyl-3-phosphorosooxypentane.

Molecular Properties

Compound Name2-methyl-3-phosphorosooxypentane
PubChem CID175519901
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name2-methyl-3-phosphorosooxypentane
SMILESCCC(OP=O)C(C)C
InChIInChI=1S/C6H13O2P/c1-4-6(5(2)3)8-9-7/h5-6H,4H2,1-3H3
InChIKeySCQJQSUGKWNFLX-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylpentan-3-yl) ethane-1,2-disulfonate
CID 89483317
5-amino-2-ethyl-3-phosphorosooxypentanoic acid
CID 57285042
4-phosphorosooxyheptane
CID 175521666
2-methylpentan-3-yl 2-methylbutanoate
CID 118880075
3-(methoxymethoxy)-2-methylpentane
CID 21050072
ethyl 2-methylpentan-3-yl carbonate
CID 23451734
(4-ethyl-5-methylhexan-3-yl) hydrogen carbonate
CID 57108616
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
N-(1-phosphorosooxyethyl)hydroxylamine
CID 57062986
1-chloro-1-phosphorosooxypentane
CID 174343094
benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane
CID 67743044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phosphorosooxypentane?
The IUPAC name of 2-methyl-3-phosphorosooxypentane (CID 175519901) is 2-methyl-3-phosphorosooxypentane.
What is the SMILES notation for 2-methyl-3-phosphorosooxypentane?
The canonical SMILES for 2-methyl-3-phosphorosooxypentane is CCC(OP=O)C(C)C.
What is the InChIKey of 2-methyl-3-phosphorosooxypentane?
The InChIKey is SCQJQSUGKWNFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-4-6(5(2)3)8-9-7/h5-6H,4H2,1-3H3.
What are the key properties of 2-methyl-3-phosphorosooxypentane?
2-methyl-3-phosphorosooxypentane has a molecular weight of 148.14 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phosphorosooxypentane is sourced from PubChem (CID 175519901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).