1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane

C19H40O2 — CID 143374455

IUPAC1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane
SMILESC=C(COCCCC)OCC1CCCC(C)C1.CC.CC
InChIInChI=1S/C15H28O2.2C2H6/c1-4-5-9-16-11-14(3)17-12-15-8-6-7-13(2)10-15;2*1-2/h13,15H,3-12H2,1-2H3;2*1-2H3
InChIKeyVIGIXYAKPXQIAR-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.21
Rot. Bonds8

About 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane

1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane (PubChem CID 143374455) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane.

Molecular Properties

Compound Name1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane
PubChem CID143374455
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane
SMILESC=C(COCCCC)OCC1CCCC(C)C1.CC.CC
InChIInChI=1S/C15H28O2.2C2H6/c1-4-5-9-16-11-14(3)17-12-15-8-6-7-13(2)10-15;2*1-2/h13,15H,3-12H2,1-2H3;2*1-2H3
InChIKeyVIGIXYAKPXQIAR-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methoxy-3-prop-2-enoxypropoxy)-1,3,5-trimethylcyclohexane
CID 145838615
1-(3-Butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane
CID 143374456

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane?
The IUPAC name of 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane (CID 143374455) is 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane.
What is the SMILES notation for 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane?
The canonical SMILES for 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane is C=C(COCCCC)OCC1CCCC(C)C1.CC.CC.
What is the InChIKey of 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane?
The InChIKey is VIGIXYAKPXQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2.2C2H6/c1-4-5-9-16-11-14(3)17-12-15-8-6-7-13(2)10-15;2*1-2/h13,15H,3-12H2,1-2H3;2*1-2H3.
What are the key properties of 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane?
1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane has a molecular weight of 300.53 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane is sourced from PubChem (CID 143374455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).