trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane

C8H15ClO — CID 55301738

IUPACtrans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane
SMILESCC(C)[C@@H]1C[C@H]1OCCCl
InChIInChI=1S/C8H15ClO/c1-6(2)7-5-8(7)10-4-3-9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeySMGZYCZMKYAWDH-JGVFFNPUSA-N
MW162.66 g/mol
LogP2.29
Rot. Bonds4

About trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane

trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane (PubChem CID 55301738) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane
PubChem CID55301738
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Nametrans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane
SMILESCC(C)[C@@H]1C[C@H]1OCCCl
InChIInChI=1S/C8H15ClO/c1-6(2)7-5-8(7)10-4-3-9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeySMGZYCZMKYAWDH-JGVFFNPUSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.29
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

1-methoxy-2-propan-2-ylcyclopropane
CID 77441779
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
trimethyl-(2-propan-2-ylcyclopropyl)oxysilane
CID 15724287
2-chloroethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 163755542
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane?
The IUPAC name of trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane (CID 55301738) is trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane.
What is the SMILES notation for trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane?
The canonical SMILES for trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane is CC(C)[C@@H]1C[C@H]1OCCCl.
What is the InChIKey of trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane?
The InChIKey is SMGZYCZMKYAWDH-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15ClO/c1-6(2)7-5-8(7)10-4-3-9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane?
trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane has a molecular weight of 162.66 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(2-chloroethoxy)-2-propan-2-ylcyclopropane is sourced from PubChem (CID 55301738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).