(1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane

C11H22O — CID 134896296

IUPAC(1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCOC1CC(C)CC[C@H]1C(C)C
InChIInChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3/t9?,10-,11?/m0/s1
InChIKeyJDGJLPHFRJNJMN-YVNMAJEFSA-N
MW170.30 g/mol
LogP3.09
Rot. Bonds2

About (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane

(1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 134896296) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID134896296
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCOC1CC(C)CC[C@H]1C(C)C
InChIInChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3/t9?,10-,11?/m0/s1
InChIKeyJDGJLPHFRJNJMN-YVNMAJEFSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane (CID 134896296) is (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane is COC1CC(C)CC[C@H]1C(C)C.
What is the InChIKey of (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is JDGJLPHFRJNJMN-YVNMAJEFSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3/t9?,10-,11?/m0/s1.
What are the key properties of (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane?
(1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 134896296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).