(3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane

C9H17ClO — CID 118966300

IUPAC(3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane
SMILESCC[C@H]1OC(C)[C@](C)(Cl)[C@@H]1C
InChIInChI=1S/C9H17ClO/c1-5-8-6(2)9(4,10)7(3)11-8/h6-8H,5H2,1-4H3/t6-,7?,8-,9-/m1/s1
InChIKeyPKOGHEUNZLQKDZ-CWWFFFCGSA-N
MW176.69 g/mol
LogP2.82
Rot. Bonds1

About (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane

(3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane (PubChem CID 118966300) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane.

Molecular Properties

Compound Name(3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane
PubChem CID118966300
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name(3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane
SMILESCC[C@H]1OC(C)[C@](C)(Cl)[C@@H]1C
InChIInChI=1S/C9H17ClO/c1-5-8-6(2)9(4,10)7(3)11-8/h6-8H,5H2,1-4H3/t6-,7?,8-,9-/m1/s1
InChIKeyPKOGHEUNZLQKDZ-CWWFFFCGSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 122450195
(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane
CID 130211644
CID 146876701
CID 146876701
(3R,4R,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol
CID 159751594
deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane
CID 148982723
(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium
CID 58364671
2-ethyl-3-propan-2-yloxirane
CID 22934413
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
(2S,3S)-2-ethenyl-3-ethyloxirane
CID 134927722
(3S,4S)-3,4-diethyldioxetane
CID 71414825
(2R)-5-chloro-2-ethyl-3-methyloxolane
CID 59969008
(3aS,5S,6S)-5-ethyl-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 91175665

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane?
The IUPAC name of (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane (CID 118966300) is (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane.
What is the SMILES notation for (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane?
The canonical SMILES for (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane is CC[C@H]1OC(C)[C@](C)(Cl)[C@@H]1C.
What is the InChIKey of (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane?
The InChIKey is PKOGHEUNZLQKDZ-CWWFFFCGSA-N. The full InChI is InChI=1S/C9H17ClO/c1-5-8-6(2)9(4,10)7(3)11-8/h6-8H,5H2,1-4H3/t6-,7?,8-,9-/m1/s1.
What are the key properties of (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane?
(3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane has a molecular weight of 176.69 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane is sourced from PubChem (CID 118966300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).