4-methyl-1-phosphorosohexane

C7H15OP — CID 173273598

IUPAC4-methyl-1-phosphorosohexane
SMILESCCC(C)CCCP=O
InChIInChI=1S/C7H15OP/c1-3-7(2)5-4-6-9-8/h7H,3-6H2,1-2H3
InChIKeyBZMIZXKISMETLU-UHFFFAOYSA-N
MW146.17 g/mol
LogP3.10
Rot. Bonds5

About 4-methyl-1-phosphorosohexane

4-methyl-1-phosphorosohexane (PubChem CID 173273598) has the molecular formula C7H15OP and a molecular weight of 146.17 g/mol. Its IUPAC name is 4-methyl-1-phosphorosohexane.

Molecular Properties

Compound Name4-methyl-1-phosphorosohexane
PubChem CID173273598
Molecular FormulaC7H15OP
Molecular Weight146.17 g/mol
Exact Mass146.09
IUPAC Name4-methyl-1-phosphorosohexane
SMILESCCC(C)CCCP=O
InChIInChI=1S/C7H15OP/c1-3-7(2)5-4-6-9-8/h7H,3-6H2,1-2H3
InChIKeyBZMIZXKISMETLU-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 53.10
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

(3R,7R)-3,7-dimethylnonane
CID 42626759
3-methylheptane;oxotitanium
CID 174602327
6-ethyl-1-phosphorosooctane
CID 174899964
3-methylheptane;nickel
CID 158967838
7-methyl-1-phosphorosooctane
CID 162721813
(3R,6S)-3,6-dimethyldecane
CID 170848353
3-ethyl-7-methylnonane
CID 526426
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-ethyl-8-methyldecane
CID 57490930
3-methylheptane;octane
CID 144782281

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phosphorosohexane?
The IUPAC name of 4-methyl-1-phosphorosohexane (CID 173273598) is 4-methyl-1-phosphorosohexane.
What is the SMILES notation for 4-methyl-1-phosphorosohexane?
The canonical SMILES for 4-methyl-1-phosphorosohexane is CCC(C)CCCP=O.
What is the InChIKey of 4-methyl-1-phosphorosohexane?
The InChIKey is BZMIZXKISMETLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15OP/c1-3-7(2)5-4-6-9-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-phosphorosohexane?
4-methyl-1-phosphorosohexane has a molecular weight of 146.17 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phosphorosohexane is sourced from PubChem (CID 173273598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).