1-[chloro(methyl)phosphoryl]oxyheptane

C8H18ClO2P — CID 13173235

IUPAC1-[chloro(methyl)phosphoryl]oxyheptane
SMILESCCCCCCCOP(C)(=O)Cl
InChIInChI=1S/C8H18ClO2P/c1-3-4-5-6-7-8-11-12(2,9)10/h3-8H2,1-2H3
InChIKeyDYJGXAAPBDYFJR-UHFFFAOYSA-N
MW212.66 g/mol
LogP4.04
Rot. Bonds7

About 1-[chloro(methyl)phosphoryl]oxyheptane

1-[chloro(methyl)phosphoryl]oxyheptane (PubChem CID 13173235) has the molecular formula C8H18ClO2P and a molecular weight of 212.66 g/mol. Its IUPAC name is 1-[chloro(methyl)phosphoryl]oxyheptane.

Molecular Properties

Compound Name1-[chloro(methyl)phosphoryl]oxyheptane
PubChem CID13173235
Molecular FormulaC8H18ClO2P
Molecular Weight212.66 g/mol
Exact Mass212.07
IUPAC Name1-[chloro(methyl)phosphoryl]oxyheptane
SMILESCCCCCCCOP(C)(=O)Cl
InChIInChI=1S/C8H18ClO2P/c1-3-4-5-6-7-8-11-12(2,9)10/h3-8H2,1-2H3
InChIKeyDYJGXAAPBDYFJR-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-dichlorophosphoryloxyoctadecane
CID 88757359
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
1-[chloro(ethyl)phosphoryl]oxydecane
CID 98517423
1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
beryllium bis(dihexadecyl phosphate)
CID 102241208
potassium tris-decyl phosphate
CID 21118666
diheptyl propyl phosphate
CID 22497721
dibutyl decyl phosphate
CID 19784867
alumane;trioctyl phosphate
CID 175071420
methane;trioctyl phosphate
CID 174464331

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methyl)phosphoryl]oxyheptane?
The IUPAC name of 1-[chloro(methyl)phosphoryl]oxyheptane (CID 13173235) is 1-[chloro(methyl)phosphoryl]oxyheptane.
What is the SMILES notation for 1-[chloro(methyl)phosphoryl]oxyheptane?
The canonical SMILES for 1-[chloro(methyl)phosphoryl]oxyheptane is CCCCCCCOP(C)(=O)Cl.
What is the InChIKey of 1-[chloro(methyl)phosphoryl]oxyheptane?
The InChIKey is DYJGXAAPBDYFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClO2P/c1-3-4-5-6-7-8-11-12(2,9)10/h3-8H2,1-2H3.
What are the key properties of 1-[chloro(methyl)phosphoryl]oxyheptane?
1-[chloro(methyl)phosphoryl]oxyheptane has a molecular weight of 212.66 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)phosphoryl]oxyheptane is sourced from PubChem (CID 13173235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).