trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol

C9H18O2 — CID 178196610

IUPACtrans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
SMILESCOC[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C9H18O2/c1-9(10)6-4-3-5-8(9)7-11-2/h8,10H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyUVUDAKQVUOSOKM-BDAKNGLRSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds2

About trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol

trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol (PubChem CID 178196610) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
PubChem CID178196610
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nametrans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
SMILESCOC[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C9H18O2/c1-9(10)6-4-3-5-8(9)7-11-2/h8,10H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyUVUDAKQVUOSOKM-BDAKNGLRSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol (CID 178196610) is trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol is COC[C@H]1CCCC[C@]1(C)O.
What is the InChIKey of trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol?
The InChIKey is UVUDAKQVUOSOKM-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(10)6-4-3-5-8(9)7-11-2/h8,10H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol?
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 178196610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).