trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane

C11H22O — CID 177191810

IUPACtrans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
SMILESCC[C@H]1CCC[C@H](OC(C)C)C1
InChIInChI=1S/C11H22O/c1-4-10-6-5-7-11(8-10)12-9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyWKOVJJGZJAWNFU-QWRGUYRKSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds3

About trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane

trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane (PubChem CID 177191810) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane.

Molecular Properties

Compound Nametrans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
PubChem CID177191810
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nametrans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
SMILESCC[C@H]1CCC[C@H](OC(C)C)C1
InChIInChI=1S/C11H22O/c1-4-10-6-5-7-11(8-10)12-9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyWKOVJJGZJAWNFU-QWRGUYRKSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-ethylcyclohexyl)oxypropane-1,3-diol
CID 139529013
1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane
CID 137452893
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine
CID 64719133
3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol
CID 114358302
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083
1-(3-ethylcyclohexyl)oxy-3-methylbutan-2-one
CID 79396137
trans-(1S,3S)-1-ethyl-3-[3-(4-methoxycyclohexyl)butoxy]cyclohexane
CID 139373417
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
(5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane
CID 121307560
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane?
The IUPAC name of trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane (CID 177191810) is trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane.
What is the SMILES notation for trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane?
The canonical SMILES for trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane is CC[C@H]1CCC[C@H](OC(C)C)C1.
What is the InChIKey of trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane?
The InChIKey is WKOVJJGZJAWNFU-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22O/c1-4-10-6-5-7-11(8-10)12-9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane?
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane is sourced from PubChem (CID 177191810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).