2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane

C16H30O2 — CID 70190231

IUPAC2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESC=CC(C)OCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H30O2/c1-6-14(5)17-9-10-18-16-11-13(4)7-8-15(16)12(2)3/h6,12-16H,1,7-11H2,2-5H3
InChIKeyCZTOIQYSTKJJQL-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.05
Rot. Bonds7

About 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane

2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 70190231) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID70190231
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESC=CC(C)OCCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H30O2/c1-6-14(5)17-9-10-18-16-11-13(4)7-8-15(16)12(2)3/h6,12-16H,1,7-11H2,2-5H3
InChIKeyCZTOIQYSTKJJQL-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane (CID 70190231) is 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane is C=CC(C)OCCOC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is CZTOIQYSTKJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-14(5)17-9-10-18-16-11-13(4)7-8-15(16)12(2)3/h6,12-16H,1,7-11H2,2-5H3.
What are the key properties of 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane?
2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 254.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-en-2-yloxyethoxy)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 70190231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).