3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol

C12H22O2 — CID 10081455

IUPAC3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol
SMILESCCCC1CCC(OCC)=CC1(C)O
InChIInChI=1S/C12H22O2/c1-4-6-10-7-8-11(14-5-2)9-12(10,3)13/h9-10,13H,4-8H2,1-3H3
InChIKeyOPMJRBRNTNQKHO-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.87
Rot. Bonds4

About 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol

3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol (PubChem CID 10081455) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol
PubChem CID10081455
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol
SMILESCCCC1CCC(OCC)=CC1(C)O
InChIInChI=1S/C12H22O2/c1-4-6-10-7-8-11(14-5-2)9-12(10,3)13/h9-10,13H,4-8H2,1-3H3
InChIKeyOPMJRBRNTNQKHO-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol?
The IUPAC name of 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol (CID 10081455) is 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol?
The canonical SMILES for 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol is CCCC1CCC(OCC)=CC1(C)O.
What is the InChIKey of 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol?
The InChIKey is OPMJRBRNTNQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-6-10-7-8-11(14-5-2)9-12(10,3)13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol?
3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol is sourced from PubChem (CID 10081455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).