8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol

C15H28O3 — CID 23571726

IUPAC8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol
SMILESC=C(C)CCCCCC(CO)COCOC(=C)C
InChIInChI=1S/C15H28O3/c1-13(2)8-6-5-7-9-15(10-16)11-17-12-18-14(3)4/h15-16H,1,3,5-12H2,2,4H3
InChIKeyVNJRPMUOVOZOAD-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.65
Rot. Bonds12

About 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol

8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol (PubChem CID 23571726) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol.

Molecular Properties

Compound Name8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol
PubChem CID23571726
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol
SMILESC=C(C)CCCCCC(CO)COCOC(=C)C
InChIInChI=1S/C15H28O3/c1-13(2)8-6-5-7-9-15(10-16)11-17-12-18-14(3)4/h15-16H,1,3,5-12H2,2,4H3
InChIKeyVNJRPMUOVOZOAD-UHFFFAOYSA-N
XLogP3.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol?
The IUPAC name of 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol (CID 23571726) is 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol.
What is the SMILES notation for 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol?
The canonical SMILES for 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol is C=C(C)CCCCCC(CO)COCOC(=C)C.
What is the InChIKey of 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol?
The InChIKey is VNJRPMUOVOZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-13(2)8-6-5-7-9-15(10-16)11-17-12-18-14(3)4/h15-16H,1,3,5-12H2,2,4H3.
What are the key properties of 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol?
8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.65, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(prop-1-en-2-yloxymethoxymethyl)non-8-en-1-ol is sourced from PubChem (CID 23571726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).