1,3-dimethoxycyclohexane

C8H16O2 — CID 547181

IUPAC1,3-dimethoxycyclohexane
SMILESCOC1CCCC(OC)C1
InChIInChI=1S/C8H16O2/c1-9-7-4-3-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3
InChIKeyMQTLTQMOALIWRO-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds2

About 1,3-dimethoxycyclohexane

1,3-dimethoxycyclohexane (PubChem CID 547181) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1,3-dimethoxycyclohexane.

Molecular Properties

Compound Name1,3-dimethoxycyclohexane
PubChem CID547181
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1,3-dimethoxycyclohexane
SMILESCOC1CCCC(OC)C1
InChIInChI=1S/C8H16O2/c1-9-7-4-3-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3
InChIKeyMQTLTQMOALIWRO-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethoxycyclohexan-1-ol
CID 547125
Cis-1,3-dimethoxycyclohexane
CID 22213706
3-Ethoxycyclohexan-1-ol
CID 79619013
3-Propoxycyclohexan-1-ol
CID 67412647
3-(Propan-2-yloxy)cyclohexan-1-ol
CID 89244840
1-Fluoro-3,5-dimethyltoxybenzene;5-Fluororesorcinol dimethyl ether;5-Fluoro-1,3-dimethoxybenzene
CID 145817766
1-Methoxy-3-(3-methoxycyclohexoxy)cyclohexane
CID 487540
Cyclohexane, 1-methoxy-3-[(4-methoxycyclohexyl)oxy]-
CID 487541
DL-1,4,2-Trimethoxycyclohexane
CID 547386
cis,trans-1,3,5-Trimethoxycyclohexane
CID 547415
1,2,3-Trimethoxycyclohexane
CID 558588
3-Butoxycyclohexan-1-ol
CID 68027861

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxycyclohexane?
The IUPAC name of 1,3-dimethoxycyclohexane (CID 547181) is 1,3-dimethoxycyclohexane.
What is the SMILES notation for 1,3-dimethoxycyclohexane?
The canonical SMILES for 1,3-dimethoxycyclohexane is COC1CCCC(OC)C1.
What is the InChIKey of 1,3-dimethoxycyclohexane?
The InChIKey is MQTLTQMOALIWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-9-7-4-3-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethoxycyclohexane?
1,3-dimethoxycyclohexane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxycyclohexane is sourced from PubChem (CID 547181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).