1-chloro-5-pentan-3-yloxyhexane

C11H23ClO — CID 135044661

IUPAC1-chloro-5-pentan-3-yloxyhexane
SMILESCCC(CC)OC(C)CCCCCl
InChIInChI=1S/C11H23ClO/c1-4-11(5-2)13-10(3)8-6-7-9-12/h10-11H,4-9H2,1-3H3
InChIKeyRQRHPXVWUSMZHO-UHFFFAOYSA-N
MW206.76 g/mol
LogP3.99
Rot. Bonds8

About 1-chloro-5-pentan-3-yloxyhexane

1-chloro-5-pentan-3-yloxyhexane (PubChem CID 135044661) has the molecular formula C11H23ClO and a molecular weight of 206.76 g/mol. Its IUPAC name is 1-chloro-5-pentan-3-yloxyhexane.

Molecular Properties

Compound Name1-chloro-5-pentan-3-yloxyhexane
PubChem CID135044661
Molecular FormulaC11H23ClO
Molecular Weight206.76 g/mol
Exact Mass206.14
IUPAC Name1-chloro-5-pentan-3-yloxyhexane
SMILESCCC(CC)OC(C)CCCCCl
InChIInChI=1S/C11H23ClO/c1-4-11(5-2)13-10(3)8-6-7-9-12/h10-11H,4-9H2,1-3H3
InChIKeyRQRHPXVWUSMZHO-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-Chloropropoxy)cyclohexane
CID 24688515
Tert-butyl 5-chloropentyl ether
CID 638111
Butylchloromethyl ether
CID 19002436
4-Chlorotetrahydro-2-methyl-2H-pyran
CID 12338295
1-tert-Butoxy-6-chlorohexane
CID 13280698
2-Methoxy-5-chlorooctane
CID 13844084
2-Chloro-6-methyltetrahydropyran
CID 14157727
2,6-Dichlor-4-methoxyheptane
CID 14173532
trans-(1R,2R)-1-chloro-2-propoxycyclohexane
CID 14473588
2-Chloro-4-methoxyoctane
CID 134995516
1-Chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane
CID 66276095
Ether, 6-chloro-1-ethyloctyl methyl
CID 552794

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-pentan-3-yloxyhexane?
The IUPAC name of 1-chloro-5-pentan-3-yloxyhexane (CID 135044661) is 1-chloro-5-pentan-3-yloxyhexane.
What is the SMILES notation for 1-chloro-5-pentan-3-yloxyhexane?
The canonical SMILES for 1-chloro-5-pentan-3-yloxyhexane is CCC(CC)OC(C)CCCCCl.
What is the InChIKey of 1-chloro-5-pentan-3-yloxyhexane?
The InChIKey is RQRHPXVWUSMZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO/c1-4-11(5-2)13-10(3)8-6-7-9-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-chloro-5-pentan-3-yloxyhexane?
1-chloro-5-pentan-3-yloxyhexane has a molecular weight of 206.76 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-pentan-3-yloxyhexane is sourced from PubChem (CID 135044661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).