2-methoxycyclohexan-1-olate

C7H13O2- — CID 135042993

IUPAC2-methoxycyclohexan-1-olate
SMILESCOC1CCCCC1[O-]
InChIInChI=1S/C7H13O2/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/q-1
InChIKeyCUEBHMMUZVIOMB-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.30
Rot. Bonds1

About 2-methoxycyclohexan-1-olate

2-methoxycyclohexan-1-olate (PubChem CID 135042993) has the molecular formula C7H13O2- and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-methoxycyclohexan-1-olate.

Molecular Properties

Compound Name2-methoxycyclohexan-1-olate
PubChem CID135042993
Molecular FormulaC7H13O2-
Molecular Weight129.18 g/mol
Exact Mass129.09
IUPAC Name2-methoxycyclohexan-1-olate
SMILESCOC1CCCCC1[O-]
InChIInChI=1S/C7H13O2/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/q-1
InChIKeyCUEBHMMUZVIOMB-UHFFFAOYSA-N
XLogP0.30
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
1,2-dimethoxycyclohexane;methoxycyclohexane
CID 174549782
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
iodomethane;1-methoxy-2-methylcyclohexane
CID 168960472
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
CID 67541561
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
trans-(1S,2S)-1-methoxy-2-propan-2-yloxycyclohexane
CID 134594695
(2-methoxycyclohexyl)-trimethylsilane
CID 560655
trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane
CID 126735216
1-methoxy-2-nitrosocyclohexane
CID 57035696

Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclohexan-1-olate?
The IUPAC name of 2-methoxycyclohexan-1-olate (CID 135042993) is 2-methoxycyclohexan-1-olate.
What is the SMILES notation for 2-methoxycyclohexan-1-olate?
The canonical SMILES for 2-methoxycyclohexan-1-olate is COC1CCCCC1[O-].
What is the InChIKey of 2-methoxycyclohexan-1-olate?
The InChIKey is CUEBHMMUZVIOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/q-1.
What are the key properties of 2-methoxycyclohexan-1-olate?
2-methoxycyclohexan-1-olate has a molecular weight of 129.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohexan-1-olate is sourced from PubChem (CID 135042993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).