cis-(1S,2R)-1,2-dimethoxycyclohexane

C8H16O2 — CID 12950137

IUPACcis-(1S,2R)-1,2-dimethoxycyclohexane
SMILESCO[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C8H16O2/c1-9-7-5-3-4-6-8(7)10-2/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyBSGBGTJQKZSUTQ-OCAPTIKFSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds2

About cis-(1S,2R)-1,2-dimethoxycyclohexane

cis-(1S,2R)-1,2-dimethoxycyclohexane (PubChem CID 12950137) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-dimethoxycyclohexane.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-dimethoxycyclohexane
PubChem CID12950137
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namecis-(1S,2R)-1,2-dimethoxycyclohexane
SMILESCO[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C8H16O2/c1-9-7-5-3-4-6-8(7)10-2/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyBSGBGTJQKZSUTQ-OCAPTIKFSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-dimethoxycyclohexane?
The IUPAC name of cis-(1S,2R)-1,2-dimethoxycyclohexane (CID 12950137) is cis-(1S,2R)-1,2-dimethoxycyclohexane.
What is the SMILES notation for cis-(1S,2R)-1,2-dimethoxycyclohexane?
The canonical SMILES for cis-(1S,2R)-1,2-dimethoxycyclohexane is CO[C@H]1CCCC[C@H]1OC.
What is the InChIKey of cis-(1S,2R)-1,2-dimethoxycyclohexane?
The InChIKey is BSGBGTJQKZSUTQ-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16O2/c1-9-7-5-3-4-6-8(7)10-2/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of cis-(1S,2R)-1,2-dimethoxycyclohexane?
cis-(1S,2R)-1,2-dimethoxycyclohexane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-dimethoxycyclohexane is sourced from PubChem (CID 12950137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).