(5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane

C15H28O2 — CID 121307560

IUPAC(5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane
SMILESCCC1CCC[C@H](O[C@H]2CCC(CC)OC2)C1
InChIInChI=1S/C15H28O2/c1-3-12-6-5-7-14(10-12)17-15-9-8-13(4-2)16-11-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15-/m0/s1
InChIKeyMQNGNFJVGBBXAP-WUCCLRPBSA-N
MW240.39 g/mol
LogP3.93
Rot. Bonds4

About (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane

(5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane (PubChem CID 121307560) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane.

Molecular Properties

Compound Name(5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane
PubChem CID121307560
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane
SMILESCCC1CCC[C@H](O[C@H]2CCC(CC)OC2)C1
InChIInChI=1S/C15H28O2/c1-3-12-6-5-7-14(10-12)17-15-9-8-13(4-2)16-11-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15-/m0/s1
InChIKeyMQNGNFJVGBBXAP-WUCCLRPBSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
N-[4-(3-ethylcyclohexyl)oxycyclohexylidene]hydroxylamine
CID 113414265
(6-ethyloxan-3-yl) prop-2-enoate
CID 145009692
1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane
CID 66346004
1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one
CID 66368096
2-ethyl-3-(3-ethylcyclohexyl)oxy-2-methylcyclobutan-1-ol
CID 66345654
[(2S,5R)-5-ethoxyoxan-2-yl]methanol
CID 166908026
2-(3-ethylcyclohexyl)oxypropane-1,3-diol
CID 139529013
3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637128
3-(3-ethylcyclohexyl)oxy-4-methylpiperidine
CID 102954193
3-(3-ethylcyclohexyl)oxy-4-iodothiolane 1,1-dioxide
CID 114774333

Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane?
The IUPAC name of (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane (CID 121307560) is (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane.
What is the SMILES notation for (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane?
The canonical SMILES for (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane is CCC1CCC[C@H](O[C@H]2CCC(CC)OC2)C1.
What is the InChIKey of (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane?
The InChIKey is MQNGNFJVGBBXAP-WUCCLRPBSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-12-6-5-7-14(10-12)17-15-9-8-13(4-2)16-11-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15-/m0/s1.
What are the key properties of (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane?
(5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane has a molecular weight of 240.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane is sourced from PubChem (CID 121307560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).