trans-(1S,2R)-1-ethoxy-2-propylcyclohexane

C11H22O — CID 94034878

IUPACtrans-(1S,2R)-1-ethoxy-2-propylcyclohexane
SMILESCCC[C@@H]1CCCC[C@@H]1OCC
InChIInChI=1S/C11H22O/c1-3-7-10-8-5-6-9-11(10)12-4-2/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyNXNDAIVXGFTJFH-MNOVXSKESA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds4

About trans-(1S,2R)-1-ethoxy-2-propylcyclohexane

trans-(1S,2R)-1-ethoxy-2-propylcyclohexane (PubChem CID 94034878) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is trans-(1S,2R)-1-ethoxy-2-propylcyclohexane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-ethoxy-2-propylcyclohexane
PubChem CID94034878
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nametrans-(1S,2R)-1-ethoxy-2-propylcyclohexane
SMILESCCC[C@@H]1CCCC[C@@H]1OCC
InChIInChI=1S/C11H22O/c1-3-7-10-8-5-6-9-11(10)12-4-2/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyNXNDAIVXGFTJFH-MNOVXSKESA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
1-(4-bromobutoxy)-2-propylcyclohexane
CID 139649149
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
(2-propylcyclohexyl) propanoate
CID 101311520
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
2-ethoxycyclopentan-1-amine
CID 16792821
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
2-ethoxycyclooctan-1-ol
CID 18953000
(2R)-1-ethoxy-2-fluorocyclododecane
CID 177416106
(1R)-2-propylcyclohexan-1-ol
CID 144627240
[(1R,2R)-2-ethoxycyclohexyl]-trimethylsilane
CID 91703112

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-ethoxy-2-propylcyclohexane?
The IUPAC name of trans-(1S,2R)-1-ethoxy-2-propylcyclohexane (CID 94034878) is trans-(1S,2R)-1-ethoxy-2-propylcyclohexane.
What is the SMILES notation for trans-(1S,2R)-1-ethoxy-2-propylcyclohexane?
The canonical SMILES for trans-(1S,2R)-1-ethoxy-2-propylcyclohexane is CCC[C@@H]1CCCC[C@@H]1OCC.
What is the InChIKey of trans-(1S,2R)-1-ethoxy-2-propylcyclohexane?
The InChIKey is NXNDAIVXGFTJFH-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22O/c1-3-7-10-8-5-6-9-11(10)12-4-2/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of trans-(1S,2R)-1-ethoxy-2-propylcyclohexane?
trans-(1S,2R)-1-ethoxy-2-propylcyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-ethoxy-2-propylcyclohexane is sourced from PubChem (CID 94034878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).