10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol

C16H30O4 — CID 22894250

IUPAC10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol
SMILESC=C(CCCCCCCOCOC(=C)C(C)O)C(C)O
InChIInChI=1S/C16H30O4/c1-13(14(2)17)10-8-6-5-7-9-11-19-12-20-16(4)15(3)18/h14-15,17-18H,1,4-12H2,2-3H3
InChIKeyBVCWJJFJLKFZLK-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.15
Rot. Bonds13

About 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol

10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol (PubChem CID 22894250) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol.

Molecular Properties

Compound Name10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol
PubChem CID22894250
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol
SMILESC=C(CCCCCCCOCOC(=C)C(C)O)C(C)O
InChIInChI=1S/C16H30O4/c1-13(14(2)17)10-8-6-5-7-9-11-19-12-20-16(4)15(3)18/h14-15,17-18H,1,4-12H2,2-3H3
InChIKeyBVCWJJFJLKFZLK-UHFFFAOYSA-N
XLogP3.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol?
The IUPAC name of 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol (CID 22894250) is 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol.
What is the SMILES notation for 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol?
The canonical SMILES for 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol is C=C(CCCCCCCOCOC(=C)C(C)O)C(C)O.
What is the InChIKey of 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol?
The InChIKey is BVCWJJFJLKFZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-13(14(2)17)10-8-6-5-7-9-11-19-12-20-16(4)15(3)18/h14-15,17-18H,1,4-12H2,2-3H3.
What are the key properties of 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol?
10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol has a molecular weight of 286.41 g/mol, XLogP of 3.15, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol is sourced from PubChem (CID 22894250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).