1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol

C10H16Cl2O3 — CID 162351420

IUPAC1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol
SMILESC=C(CC(O)CCl)OC(=C)CC(O)CCl
InChIInChI=1S/C10H16Cl2O3/c1-7(3-9(13)5-11)15-8(2)4-10(14)6-12/h9-10,13-14H,1-6H2
InChIKeyUHFOMLPQKVOYRP-UHFFFAOYSA-N
MW255.14 g/mol
LogP2.01
Rot. Bonds8

About 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol

1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol (PubChem CID 162351420) has the molecular formula C10H16Cl2O3 and a molecular weight of 255.14 g/mol. Its IUPAC name is 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol.

Molecular Properties

Compound Name1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol
PubChem CID162351420
Molecular FormulaC10H16Cl2O3
Molecular Weight255.14 g/mol
Exact Mass254.05
IUPAC Name1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol
SMILESC=C(CC(O)CCl)OC(=C)CC(O)CCl
InChIInChI=1S/C10H16Cl2O3/c1-7(3-9(13)5-11)15-8(2)4-10(14)6-12/h9-10,13-14H,1-6H2
InChIKeyUHFOMLPQKVOYRP-UHFFFAOYSA-N
XLogP2.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol?
The IUPAC name of 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol (CID 162351420) is 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol.
What is the SMILES notation for 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol?
The canonical SMILES for 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol is C=C(CC(O)CCl)OC(=C)CC(O)CCl.
What is the InChIKey of 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol?
The InChIKey is UHFOMLPQKVOYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O3/c1-7(3-9(13)5-11)15-8(2)4-10(14)6-12/h9-10,13-14H,1-6H2.
What are the key properties of 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol?
1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol has a molecular weight of 255.14 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol is sourced from PubChem (CID 162351420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).