(4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene

C10H19ClO2 — CID 91261862

IUPAC(4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene
SMILESCCOOC[C@@H](CC=CCl)C(C)C
InChIInChI=1S/C10H19ClO2/c1-4-12-13-8-10(9(2)3)6-5-7-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m1/s1
InChIKeyGDADTCDZTOOQRJ-SNVBAGLBSA-N
MW206.71 g/mol
LogP3.37
Rot. Bonds7

About (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene

(4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene (PubChem CID 91261862) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene.

Molecular Properties

Compound Name(4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene
PubChem CID91261862
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name(4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene
SMILESCCOOC[C@@H](CC=CCl)C(C)C
InChIInChI=1S/C10H19ClO2/c1-4-12-13-8-10(9(2)3)6-5-7-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m1/s1
InChIKeyGDADTCDZTOOQRJ-SNVBAGLBSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene?
The IUPAC name of (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene (CID 91261862) is (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene.
What is the SMILES notation for (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene?
The canonical SMILES for (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene is CCOOC[C@@H](CC=CCl)C(C)C.
What is the InChIKey of (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene?
The InChIKey is GDADTCDZTOOQRJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-4-12-13-8-10(9(2)3)6-5-7-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene?
(4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene has a molecular weight of 206.71 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-chloro-4-(ethylperoxymethyl)-5-methylhex-1-ene is sourced from PubChem (CID 91261862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).