1-[chloromethyl(pentoxy)phosphoryl]oxypentane

C11H24ClO3P — CID 10588154

IUPAC1-[chloromethyl(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(CCl)OCCCCC
InChIInChI=1S/C11H24ClO3P/c1-3-5-7-9-14-16(13,11-12)15-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyKGCFIMMXCPAQGN-UHFFFAOYSA-N
MW270.74 g/mol
LogP4.79
Rot. Bonds11

About 1-[chloromethyl(pentoxy)phosphoryl]oxypentane

1-[chloromethyl(pentoxy)phosphoryl]oxypentane (PubChem CID 10588154) has the molecular formula C11H24ClO3P and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-[chloromethyl(pentoxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name1-[chloromethyl(pentoxy)phosphoryl]oxypentane
PubChem CID10588154
Molecular FormulaC11H24ClO3P
Molecular Weight270.74 g/mol
Exact Mass270.12
IUPAC Name1-[chloromethyl(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(CCl)OCCCCC
InChIInChI=1S/C11H24ClO3P/c1-3-5-7-9-14-16(13,11-12)15-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyKGCFIMMXCPAQGN-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dibutyl chloromethylphosphonate
CID 76493
Dipropyl chloromethylphosphonate
CID 294544
Dipentyl methylphosphonate
CID 13839
Dipentyl ethylphosphonate
CID 574202
1-[Pentoxy(propan-2-yl)phosphoryl]oxypentane
CID 102343256
Phosphonic acid, dipentyl ester
CID 12844417
Phosphorochloridic acid, dipentyl ester
CID 4549122
Methyl pentyl methylphosphonate
CID 574015
1-[Pentoxy(propyl)phosphoryl]oxypentane
CID 22011429
Methyl pentyl ethylphosphonate
CID 580498
Butylphosphonic acid, butyl pentyl ester
CID 6423031
Butylphosphonic acid, dipentyl ester
CID 6423058

Frequently Asked Questions

What is the IUPAC name of 1-[chloromethyl(pentoxy)phosphoryl]oxypentane?
The IUPAC name of 1-[chloromethyl(pentoxy)phosphoryl]oxypentane (CID 10588154) is 1-[chloromethyl(pentoxy)phosphoryl]oxypentane.
What is the SMILES notation for 1-[chloromethyl(pentoxy)phosphoryl]oxypentane?
The canonical SMILES for 1-[chloromethyl(pentoxy)phosphoryl]oxypentane is CCCCCOP(=O)(CCl)OCCCCC.
What is the InChIKey of 1-[chloromethyl(pentoxy)phosphoryl]oxypentane?
The InChIKey is KGCFIMMXCPAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClO3P/c1-3-5-7-9-14-16(13,11-12)15-10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of 1-[chloromethyl(pentoxy)phosphoryl]oxypentane?
1-[chloromethyl(pentoxy)phosphoryl]oxypentane has a molecular weight of 270.74 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloromethyl(pentoxy)phosphoryl]oxypentane is sourced from PubChem (CID 10588154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).