1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane

C14H28O2 — CID 139783736

IUPAC1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane
SMILESCCOCC1CC(C)CC(C)C1COCC
InChIInChI=1S/C14H28O2/c1-5-15-9-13-8-11(3)7-12(4)14(13)10-16-6-2/h11-14H,5-10H2,1-4H3
InChIKeyNYIQWKDVKJBRGI-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.36
Rot. Bonds6

About 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane

1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane (PubChem CID 139783736) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane.

Molecular Properties

Compound Name1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane
PubChem CID139783736
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane
SMILESCCOCC1CC(C)CC(C)C1COCC
InChIInChI=1S/C14H28O2/c1-5-15-9-13-8-11(3)7-12(4)14(13)10-16-6-2/h11-14H,5-10H2,1-4H3
InChIKeyNYIQWKDVKJBRGI-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride
CID 135324600
7-(ethoxymethyl)bicyclo[2.2.1]heptane
CID 91410594
(1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane
CID 130238691
(3S,4S)-3,4-bis(ethoxymethyl)tricyclo[4.2.1.02,5]non-7-ene
CID 71024240
1-chloro-2-(3-ethoxypropyl)-4-methylcyclohexane
CID 65180902
3-(ethoxymethyl)-4-methylpiperidine
CID 106780348
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
(2,4-dimethylcyclopentyl)methanamine
CID 134314260
1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane
CID 15751895
2-(ethoxymethyl)cyclohexan-1-amine
CID 79568761

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane?
The IUPAC name of 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane (CID 139783736) is 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane.
What is the SMILES notation for 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane?
The canonical SMILES for 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane is CCOCC1CC(C)CC(C)C1COCC.
What is the InChIKey of 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane?
The InChIKey is NYIQWKDVKJBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-15-9-13-8-11(3)7-12(4)14(13)10-16-6-2/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane?
1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane is sourced from PubChem (CID 139783736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).