1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane

C14H26O3 — CID 138968530

IUPAC1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane
SMILESCOC1CCCCC1OC1CCCCC1OC
InChIInChI=1S/C14H26O3/c1-15-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16-2/h11-14H,3-10H2,1-2H3
InChIKeyPFDJWGZMIGWCDJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.92
Rot. Bonds4

About 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane

1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane (PubChem CID 138968530) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane
PubChem CID138968530
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane
SMILESCOC1CCCCC1OC1CCCCC1OC
InChIInChI=1S/C14H26O3/c1-15-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16-2/h11-14H,3-10H2,1-2H3
InChIKeyPFDJWGZMIGWCDJ-UHFFFAOYSA-N
XLogP2.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dicyclohexano-18-crown-6
CID 85955
Tetracosahydrodibenz(b,n)(1,4,7,10,13,16,19,22)octaoxacyclotetracosin
CID 87119
Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
CID 86572
1,2-Dimethoxycyclohexane
CID 141528
1,2-Dimethoxycyclohexane, trans-
CID 12950136
Cyclohexano-18-crown-6
CID 2724842
2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane, trans-syn-trans-
CID 7064768
2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane, cis-
CID 10959677
Dicyclohexyl-18-crown-6, isomer B
CID 11869895
n-Butyl-dioxane
CID 20133112
(2-Butoxyethoxy)cyclohexane
CID 53426944
cis-1,2-Dimethoxycyclohexane
CID 12950137

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane?
The IUPAC name of 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane (CID 138968530) is 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane.
What is the SMILES notation for 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane?
The canonical SMILES for 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane is COC1CCCCC1OC1CCCCC1OC.
What is the InChIKey of 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane?
The InChIKey is PFDJWGZMIGWCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-15-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane?
1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane has a molecular weight of 242.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxycyclohexyl)oxycyclohexane is sourced from PubChem (CID 138968530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).