(3S)-1-ethoxy-3-ethylcyclohexane

C10H20O — CID 144585145

IUPAC(3S)-1-ethoxy-3-ethylcyclohexane
SMILESCCOC1CCC[C@H](CC)C1
InChIInChI=1S/C10H20O/c1-3-9-6-5-7-10(8-9)11-4-2/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyRBACCQZMQXXIDH-RGURZIINSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds3

About (3S)-1-ethoxy-3-ethylcyclohexane

(3S)-1-ethoxy-3-ethylcyclohexane (PubChem CID 144585145) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3S)-1-ethoxy-3-ethylcyclohexane.

Molecular Properties

Compound Name(3S)-1-ethoxy-3-ethylcyclohexane
PubChem CID144585145
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3S)-1-ethoxy-3-ethylcyclohexane
SMILESCCOC1CCC[C@H](CC)C1
InChIInChI=1S/C10H20O/c1-3-9-6-5-7-10(8-9)11-4-2/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyRBACCQZMQXXIDH-RGURZIINSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
CID 10261806
cis-(1S,3R)-1-ethoxy-3-pentylcyclohexane
CID 101096763
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
1-(3-ethylcyclohexyl)oxy-3-methylbutan-2-one
CID 79396137
3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide
CID 106746794
1-amino-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
CID 64814015
3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 142638254
1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64571862
2-(3-ethylcyclohexyl)oxypropane-1,3-diol
CID 139529013
trans-(1S,3S)-1-ethyl-3-[3-(4-methoxycyclohexyl)butoxy]cyclohexane
CID 139373417
3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine
CID 114796060
2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
CID 64807526

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethoxy-3-ethylcyclohexane?
The IUPAC name of (3S)-1-ethoxy-3-ethylcyclohexane (CID 144585145) is (3S)-1-ethoxy-3-ethylcyclohexane.
What is the SMILES notation for (3S)-1-ethoxy-3-ethylcyclohexane?
The canonical SMILES for (3S)-1-ethoxy-3-ethylcyclohexane is CCOC1CCC[C@H](CC)C1.
What is the InChIKey of (3S)-1-ethoxy-3-ethylcyclohexane?
The InChIKey is RBACCQZMQXXIDH-RGURZIINSA-N. The full InChI is InChI=1S/C10H20O/c1-3-9-6-5-7-10(8-9)11-4-2/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (3S)-1-ethoxy-3-ethylcyclohexane?
(3S)-1-ethoxy-3-ethylcyclohexane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethoxy-3-ethylcyclohexane is sourced from PubChem (CID 144585145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).