trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane

C10H20O2 — CID 126735216

IUPACtrans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane
SMILESCO[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C10H20O2/c1-8(2)12-10-7-5-4-6-9(10)11-3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyGQSCYLUQDDFHSQ-NXEZZACHSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds3

About trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane

trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane (PubChem CID 126735216) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane
PubChem CID126735216
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nametrans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane
SMILESCO[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C10H20O2/c1-8(2)12-10-7-5-4-6-9(10)11-3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyGQSCYLUQDDFHSQ-NXEZZACHSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane?
The IUPAC name of trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane (CID 126735216) is trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane?
The canonical SMILES for trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane is CO[C@@H]1CCCC[C@H]1OC(C)C.
What is the InChIKey of trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane?
The InChIKey is GQSCYLUQDDFHSQ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)12-10-7-5-4-6-9(10)11-3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane?
trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane is sourced from PubChem (CID 126735216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).