3-methylhex-4-ynoxymethylcyclopropane

C11H18O — CID 100959588

IUPAC3-methylhex-4-ynoxymethylcyclopropane
SMILESCC#CC(C)CCOCC1CC1
InChIInChI=1S/C11H18O/c1-3-4-10(2)7-8-12-9-11-5-6-11/h10-11H,5-9H2,1-2H3
InChIKeyCLNKXRFNMWBFCW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.46
Rot. Bonds5

About 3-methylhex-4-ynoxymethylcyclopropane

3-methylhex-4-ynoxymethylcyclopropane (PubChem CID 100959588) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-methylhex-4-ynoxymethylcyclopropane.

Molecular Properties

Compound Name3-methylhex-4-ynoxymethylcyclopropane
PubChem CID100959588
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-methylhex-4-ynoxymethylcyclopropane
SMILESCC#CC(C)CCOCC1CC1
InChIInChI=1S/C11H18O/c1-3-4-10(2)7-8-12-9-11-5-6-11/h10-11H,5-9H2,1-2H3
InChIKeyCLNKXRFNMWBFCW-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylhex-4-ynoxymethylcyclopropane?
The IUPAC name of 3-methylhex-4-ynoxymethylcyclopropane (CID 100959588) is 3-methylhex-4-ynoxymethylcyclopropane.
What is the SMILES notation for 3-methylhex-4-ynoxymethylcyclopropane?
The canonical SMILES for 3-methylhex-4-ynoxymethylcyclopropane is CC#CC(C)CCOCC1CC1.
What is the InChIKey of 3-methylhex-4-ynoxymethylcyclopropane?
The InChIKey is CLNKXRFNMWBFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-4-10(2)7-8-12-9-11-5-6-11/h10-11H,5-9H2,1-2H3.
What are the key properties of 3-methylhex-4-ynoxymethylcyclopropane?
3-methylhex-4-ynoxymethylcyclopropane has a molecular weight of 166.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhex-4-ynoxymethylcyclopropane is sourced from PubChem (CID 100959588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).