1,3-bis(ethoxymethyl)cyclohexane

C12H24O2 — CID 78035613

IUPAC1,3-bis(ethoxymethyl)cyclohexane
SMILESCCOCC1CCCC(COCC)C1
InChIInChI=1S/C12H24O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h11-12H,3-10H2,1-2H3
InChIKeyRERMLTLIFJAUMD-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.87
Rot. Bonds6

About 1,3-bis(ethoxymethyl)cyclohexane

1,3-bis(ethoxymethyl)cyclohexane (PubChem CID 78035613) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1,3-bis(ethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,3-bis(ethoxymethyl)cyclohexane
PubChem CID78035613
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1,3-bis(ethoxymethyl)cyclohexane
SMILESCCOCC1CCCC(COCC)C1
InChIInChI=1S/C12H24O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h11-12H,3-10H2,1-2H3
InChIKeyRERMLTLIFJAUMD-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethoxy-1,3-dimethylcyclohexane
CID 101096771
1,3,5-tris-(Hydroxymethyl)cyclohexane, triacetate
CID 530262
1,3-Bis(methoxymethyl)cyclohexane
CID 19906662
1-Ethoxy-4-(methoxymethyl)cyclohexane
CID 59927989
(1I+/-,2I+/-,3I+/-)-2-Ethoxy-1,3-dimethylcyclohexane
CID 177843576
Ethoxymethylcyclohexane
CID 17943678
[3-(Propan-2-yloxymethyl)cyclohexyl]methanol
CID 18710491
[3-(Methoxymethyl)cyclohexyl]methanol
CID 18710493
1-(2-Methoxyethoxymethyl)-1,3,3,5-tetramethylcyclohexane
CID 20692086
1-Methoxy-3-(2-methoxyethyl)octane
CID 22445890
Butoxymethylcyclohexane
CID 23119061
Pentoxymethylcyclohexane
CID 23119223

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethoxymethyl)cyclohexane?
The IUPAC name of 1,3-bis(ethoxymethyl)cyclohexane (CID 78035613) is 1,3-bis(ethoxymethyl)cyclohexane.
What is the SMILES notation for 1,3-bis(ethoxymethyl)cyclohexane?
The canonical SMILES for 1,3-bis(ethoxymethyl)cyclohexane is CCOCC1CCCC(COCC)C1.
What is the InChIKey of 1,3-bis(ethoxymethyl)cyclohexane?
The InChIKey is RERMLTLIFJAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,3-bis(ethoxymethyl)cyclohexane?
1,3-bis(ethoxymethyl)cyclohexane has a molecular weight of 200.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethoxymethyl)cyclohexane is sourced from PubChem (CID 78035613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).