2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane

C11H18O2 — CID 144854044

IUPAC2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane
SMILESC#CCOC1CCC(C)CC1OC
InChIInChI=1S/C11H18O2/c1-4-7-13-10-6-5-9(2)8-11(10)12-3/h1,9-11H,5-8H2,2-3H3
InChIKeyLIZMHOBMQFCMMD-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.84
Rot. Bonds3

About 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane

2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane (PubChem CID 144854044) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane
PubChem CID144854044
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane
SMILESC#CCOC1CCC(C)CC1OC
InChIInChI=1S/C11H18O2/c1-4-7-13-10-6-5-9(2)8-11(10)12-3/h1,9-11H,5-8H2,2-3H3
InChIKeyLIZMHOBMQFCMMD-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane?
The IUPAC name of 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane (CID 144854044) is 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane.
What is the SMILES notation for 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane?
The canonical SMILES for 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane is C#CCOC1CCC(C)CC1OC.
What is the InChIKey of 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane?
The InChIKey is LIZMHOBMQFCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-7-13-10-6-5-9(2)8-11(10)12-3/h1,9-11H,5-8H2,2-3H3.
What are the key properties of 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane?
2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane has a molecular weight of 182.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane is sourced from PubChem (CID 144854044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).