methoxycyclohexane

C7H14O — CID 13607

IUPACmethoxycyclohexane
SMILESCOC1CCCCC1
InChIInChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyGHDIHPNJQVDFBL-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.97
Rot. Bonds1

About methoxycyclohexane

methoxycyclohexane (PubChem CID 13607) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is methoxycyclohexane.

Molecular Properties

Compound Namemethoxycyclohexane
PubChem CID13607
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namemethoxycyclohexane
SMILESCOC1CCCCC1
InChIInChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyGHDIHPNJQVDFBL-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyloxane
CID 139099
Ethoxycyclohexane
CID 559068
Cyclohexane, (ethynyloxy)-
CID 111680
(Chloromethoxy)cyclohexane
CID 11309592
rac-(1R,2R)-1-iodo-2-methoxycyclohexane
CID 11447803
(1R,2R)-1-Fluoro-2-methoxycyclohexane
CID 12700789
1-Iodo-2-methoxycyclohexane
CID 291045
(2R,6S)-2,6-dimethyltetrahydro-2H-pyran
CID 643052
(2S)-2-methyloxane
CID 12465995
Tetrahydro-2,6-dimethylpyran
CID 12708563
Butoxycyclohexane
CID 13299482
1,1-Difluoro-2-methoxycyclohexane
CID 14092089

Frequently Asked Questions

What is the IUPAC name of methoxycyclohexane?
The IUPAC name of methoxycyclohexane (CID 13607) is methoxycyclohexane.
What is the SMILES notation for methoxycyclohexane?
The canonical SMILES for methoxycyclohexane is COC1CCCCC1.
What is the InChIKey of methoxycyclohexane?
The InChIKey is GHDIHPNJQVDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of methoxycyclohexane?
methoxycyclohexane has a molecular weight of 114.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclohexane is sourced from PubChem (CID 13607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).