3-(methoxymethoxy)pentadeca-1,2-dien-4-ol

C17H32O3 — CID 135071944

IUPAC3-(methoxymethoxy)pentadeca-1,2-dien-4-ol
SMILESC=C=C(OCOC)C(O)CCCCCCCCCCC
InChIInChI=1S/C17H32O3/c1-4-6-7-8-9-10-11-12-13-14-16(18)17(5-2)20-15-19-3/h16,18H,2,4,6-15H2,1,3H3
InChIKeyFFCLRAOSAPEWCI-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.56
Rot. Bonds14

About 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol

3-(methoxymethoxy)pentadeca-1,2-dien-4-ol (PubChem CID 135071944) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol.

Molecular Properties

Compound Name3-(methoxymethoxy)pentadeca-1,2-dien-4-ol
PubChem CID135071944
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name3-(methoxymethoxy)pentadeca-1,2-dien-4-ol
SMILESC=C=C(OCOC)C(O)CCCCCCCCCCC
InChIInChI=1S/C17H32O3/c1-4-6-7-8-9-10-11-12-13-14-16(18)17(5-2)20-15-19-3/h16,18H,2,4,6-15H2,1,3H3
InChIKeyFFCLRAOSAPEWCI-UHFFFAOYSA-N
XLogP4.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.56
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'}

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Related Compounds

3-Methoxypentadeca-1,2-dien-4-ol
CID 132527817
(E)-1-(methoxymethoxy)tetradec-1-en-3-ol
CID 10107312
10-(3-Hydroxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-ol
CID 22894250
2-(3-Hydroxynon-1-en-2-yloxy)non-1-en-3-ol
CID 88425894
2-(3-Hydroxydodec-1-en-2-yloxy)dodec-1-en-3-ol
CID 88426038
2-(3-Hydroxydec-1-en-2-yloxy)dec-1-en-3-ol
CID 88426354
2-Heptadecoxyoctadec-1-en-3-ol
CID 141006405
(Z)-1-(methoxymethoxy)tetradec-1-en-3-ol
CID 10378564
(3R,4R)-4-(methoxymethoxy)hexadec-1-en-3-ol
CID 10990247
(3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol
CID 11185680
(3R,4R)-3-(methoxymethoxy)hexadec-1-en-4-ol
CID 11301046
3-Methoxydeca-1,2-dien-4-ol
CID 11332874

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol?
The IUPAC name of 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol (CID 135071944) is 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol.
What is the SMILES notation for 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol?
The canonical SMILES for 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol is C=C=C(OCOC)C(O)CCCCCCCCCCC.
What is the InChIKey of 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol?
The InChIKey is FFCLRAOSAPEWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-4-6-7-8-9-10-11-12-13-14-16(18)17(5-2)20-15-19-3/h16,18H,2,4,6-15H2,1,3H3.
What are the key properties of 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol?
3-(methoxymethoxy)pentadeca-1,2-dien-4-ol has a molecular weight of 284.44 g/mol, XLogP of 4.56, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)pentadeca-1,2-dien-4-ol is sourced from PubChem (CID 135071944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).