cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane

C9H18O2 — CID 164821993

IUPACcis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
SMILESCOC[C@H]1CCCC[C@@H]1OC
InChIInChI=1S/C9H18O2/c1-10-7-8-5-3-4-6-9(8)11-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyYCHOERALFNYTOP-BDAKNGLRSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds3

About cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane

cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane (PubChem CID 164821993) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Namecis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
PubChem CID164821993
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namecis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
SMILESCOC[C@H]1CCCC[C@@H]1OC
InChIInChI=1S/C9H18O2/c1-10-7-8-5-3-4-6-9(8)11-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyYCHOERALFNYTOP-BDAKNGLRSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(methoxymethyl)cyclohexan-1-amine
CID 89098977
1-(2,2-dimethylpropyl)-2-methoxycyclohexane
CID 158846748
1-[(2R)-2-methoxycyclohexyl]-N-methylmethanamine
CID 142251014
(2-methoxycyclopentyl)methanamine
CID 43428752
(2S)-2-(methoxymethyl)cyclopentan-1-amine
CID 89358977
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
CID 67541561
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
1-bromo-2-(methoxymethyl)cycloheptane
CID 79570808
3-[(1S,2S)-2-methoxycyclohexyl]propanenitrile
CID 71404330
3-[(1R,2R)-2-methoxycyclohexyl]propanenitrile
CID 12555919
1-(methoxymethyl)-2-methylsulfanylcyclohexane
CID 126590788
methyl 4-(2-methoxycyclohexyl)butanoate
CID 12546372

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane?
The IUPAC name of cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane (CID 164821993) is cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane.
What is the SMILES notation for cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane?
The canonical SMILES for cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane is COC[C@H]1CCCC[C@@H]1OC.
What is the InChIKey of cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane?
The InChIKey is YCHOERALFNYTOP-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O2/c1-10-7-8-5-3-4-6-9(8)11-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane?
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane is sourced from PubChem (CID 164821993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).