(1S,3R)-1,3-dichloro-1,3-dimethoxypropane

C5H10Cl2O2 — CID 130737301

IUPAC(1S,3R)-1,3-dichloro-1,3-dimethoxypropane
SMILESCO[C@H](Cl)C[C@H](Cl)OC
InChIInChI=1S/C5H10Cl2O2/c1-8-4(6)3-5(7)9-2/h4-5H,3H2,1-2H3/t4-,5+
InChIKeyAFJQIFVWBAWDHM-SYDPRGILSA-N
MW173.04 g/mol
LogP1.80
Rot. Bonds4

About (1S,3R)-1,3-dichloro-1,3-dimethoxypropane

(1S,3R)-1,3-dichloro-1,3-dimethoxypropane (PubChem CID 130737301) has the molecular formula C5H10Cl2O2 and a molecular weight of 173.04 g/mol. Its IUPAC name is (1S,3R)-1,3-dichloro-1,3-dimethoxypropane.

Molecular Properties

Compound Name(1S,3R)-1,3-dichloro-1,3-dimethoxypropane
PubChem CID130737301
Molecular FormulaC5H10Cl2O2
Molecular Weight173.04 g/mol
Exact Mass172.01
IUPAC Name(1S,3R)-1,3-dichloro-1,3-dimethoxypropane
SMILESCO[C@H](Cl)C[C@H](Cl)OC
InChIInChI=1S/C5H10Cl2O2/c1-8-4(6)3-5(7)9-2/h4-5H,3H2,1-2H3/t4-,5+
InChIKeyAFJQIFVWBAWDHM-SYDPRGILSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-4-methoxybut-1-ene
CID 163540520
5-chloro-5-methoxypent-2-ene
CID 173279863
3-chloro-1,1-dimethoxybutane
CID 119097582
1-(2-chloro-2-methoxyethyl)pyrrole
CID 141303395
CID 20835806
CID 20835806
(4-chloro-4-methoxybutyl)benzene
CID 15657447
1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane
CID 123214349
1-chloro-1-(1-chloropropoxy)propane
CID 20501667
2-chloro-3-methoxybutane
CID 23424437
CID 59090951
CID 59090951
2-chloro-3,3-dimethoxypropan-1-ol
CID 119096370
1,2,4-trichloro-1-methoxybutane
CID 19787421

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1,3-dichloro-1,3-dimethoxypropane?
The IUPAC name of (1S,3R)-1,3-dichloro-1,3-dimethoxypropane (CID 130737301) is (1S,3R)-1,3-dichloro-1,3-dimethoxypropane.
What is the SMILES notation for (1S,3R)-1,3-dichloro-1,3-dimethoxypropane?
The canonical SMILES for (1S,3R)-1,3-dichloro-1,3-dimethoxypropane is CO[C@H](Cl)C[C@H](Cl)OC.
What is the InChIKey of (1S,3R)-1,3-dichloro-1,3-dimethoxypropane?
The InChIKey is AFJQIFVWBAWDHM-SYDPRGILSA-N. The full InChI is InChI=1S/C5H10Cl2O2/c1-8-4(6)3-5(7)9-2/h4-5H,3H2,1-2H3/t4-,5+.
What are the key properties of (1S,3R)-1,3-dichloro-1,3-dimethoxypropane?
(1S,3R)-1,3-dichloro-1,3-dimethoxypropane has a molecular weight of 173.04 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1,3-dichloro-1,3-dimethoxypropane is sourced from PubChem (CID 130737301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).