(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane

C9H18O — CID 167287660

IUPAC(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane
SMILESCO[C@@H]1C[C@@H](C)CC[C@H]1C
InChIInChI=1S/C9H18O/c1-7-4-5-8(2)9(6-7)10-3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyUUGJHYNORBECHV-DJLDLDEBSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane

(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane (PubChem CID 167287660) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane
PubChem CID167287660
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane
SMILESCO[C@@H]1C[C@@H](C)CC[C@H]1C
InChIInChI=1S/C9H18O/c1-7-4-5-8(2)9(6-7)10-3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyUUGJHYNORBECHV-DJLDLDEBSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroperoxy-1,4-dimethylcyclohexane
CID 118983567
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
3-methoxy-4-methylcyclohexan-1-ol
CID 89006966
1-methoxy-2,6,9-trimethylcyclododecane
CID 70879863
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
CID 166889412
1,4-dimethoxy-2-methylcyclopentane
CID 170203002
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
1,2-dimethoxy-3-methylcyclopentane
CID 57086988
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
1,2,4,7-tetramethylcyclononane
CID 123661715
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane?
The IUPAC name of (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane (CID 167287660) is (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane.
What is the SMILES notation for (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane?
The canonical SMILES for (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane is CO[C@@H]1C[C@@H](C)CC[C@H]1C.
What is the InChIKey of (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane?
The InChIKey is UUGJHYNORBECHV-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H18O/c1-7-4-5-8(2)9(6-7)10-3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane?
(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane is sourced from PubChem (CID 167287660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).