1,2,3-trimethoxycyclohexane

C9H18O3 — CID 558588

IUPAC1,2,3-trimethoxycyclohexane
SMILESCOC1CCCC(OC)C1OC
InChIInChI=1S/C9H18O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h7-9H,4-6H2,1-3H3
InChIKeyKJNDNYDBXVVIKZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.22
Rot. Bonds3

About 1,2,3-trimethoxycyclohexane

1,2,3-trimethoxycyclohexane (PubChem CID 558588) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,2,3-trimethoxycyclohexane.

Molecular Properties

Compound Name1,2,3-trimethoxycyclohexane
PubChem CID558588
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1,2,3-trimethoxycyclohexane
SMILESCOC1CCCC(OC)C1OC
InChIInChI=1S/C9H18O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h7-9H,4-6H2,1-3H3
InChIKeyKJNDNYDBXVVIKZ-UHFFFAOYSA-N
XLogP1.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dimethoxycyclohexane
CID 141528
1,2-Dimethoxycyclohexane, trans-
CID 12950136
1,2,3,4,5,6-Hexamethoxycyclohexane
CID 237179
Cis-1,3-dimethoxycyclohexane
CID 22213706
1,3-Dimethoxycyclohexane
CID 547181
1,2,6-Trimethoxyhexane
CID 551374
cis-1,2-Dimethoxycyclohexane
CID 12950137
DL-1,4,2-Trimethoxycyclohexane
CID 547386
cis,trans-1,3,5-Trimethoxycyclohexane
CID 547415
2,3,5,6-Tetramethoxy cyclohexane
CID 129712839
CID 164666435
CID 164666435
1,3,5-Trimethoxycyclohexane
CID 164666436

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxycyclohexane?
The IUPAC name of 1,2,3-trimethoxycyclohexane (CID 558588) is 1,2,3-trimethoxycyclohexane.
What is the SMILES notation for 1,2,3-trimethoxycyclohexane?
The canonical SMILES for 1,2,3-trimethoxycyclohexane is COC1CCCC(OC)C1OC.
What is the InChIKey of 1,2,3-trimethoxycyclohexane?
The InChIKey is KJNDNYDBXVVIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,2,3-trimethoxycyclohexane?
1,2,3-trimethoxycyclohexane has a molecular weight of 174.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxycyclohexane is sourced from PubChem (CID 558588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).