5-ethyl-5-methyl-1-phosphorosoheptane

C10H21OP — CID 174908187

IUPAC5-ethyl-5-methyl-1-phosphorosoheptane
SMILESCCC(C)(CC)CCCCP=O
InChIInChI=1S/C10H21OP/c1-4-10(3,5-2)8-6-7-9-12-11/h4-9H2,1-3H3
InChIKeyVQZXOFDULXWQCU-UHFFFAOYSA-N
MW188.25 g/mol
LogP4.27
Rot. Bonds7

About 5-ethyl-5-methyl-1-phosphorosoheptane

5-ethyl-5-methyl-1-phosphorosoheptane (PubChem CID 174908187) has the molecular formula C10H21OP and a molecular weight of 188.25 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-phosphorosoheptane.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-phosphorosoheptane
PubChem CID174908187
Molecular FormulaC10H21OP
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name5-ethyl-5-methyl-1-phosphorosoheptane
SMILESCCC(C)(CC)CCCCP=O
InChIInChI=1S/C10H21OP/c1-4-10(3,5-2)8-6-7-9-12-11/h4-9H2,1-3H3
InChIKeyVQZXOFDULXWQCU-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 54.27
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-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
(5-ethyl-5-methylheptyl)cyclopropane
CID 123293142
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
2,9-diethyl-2,9-dimethyldecane-1,10-diol
CID 3069679
2,11-diethyl-2,11-dimethyldodecane-1,12-diol
CID 3069683
5-ethyl-5-methylhentetracontane
CID 123896152
3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane
CID 153454152
4-ethyl-N,4-dimethylhexan-1-amine
CID 123387563
ethane;4-ethyl-4-methylnonane
CID 164538733

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-phosphorosoheptane?
The IUPAC name of 5-ethyl-5-methyl-1-phosphorosoheptane (CID 174908187) is 5-ethyl-5-methyl-1-phosphorosoheptane.
What is the SMILES notation for 5-ethyl-5-methyl-1-phosphorosoheptane?
The canonical SMILES for 5-ethyl-5-methyl-1-phosphorosoheptane is CCC(C)(CC)CCCCP=O.
What is the InChIKey of 5-ethyl-5-methyl-1-phosphorosoheptane?
The InChIKey is VQZXOFDULXWQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21OP/c1-4-10(3,5-2)8-6-7-9-12-11/h4-9H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-1-phosphorosoheptane?
5-ethyl-5-methyl-1-phosphorosoheptane has a molecular weight of 188.25 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-phosphorosoheptane is sourced from PubChem (CID 174908187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).