(E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol

C19H38O3 — CID 102411057

IUPAC(E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol
SMILESCCCCCCCCCCCCC[C@@H](O)C/C=C/OCOC
InChIInChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-19(20)16-14-17-22-18-21-2/h14,17,19-20H,3-13,15-16,18H2,1-2H3/b17-14+/t19-/m1/s1
InChIKeyQBDYTLVHSJHLEE-DQSGYLJSSA-N
MW314.51 g/mol
LogP5.57
Rot. Bonds17

About (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol

(E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol (PubChem CID 102411057) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol.

Molecular Properties

Compound Name(E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol
PubChem CID102411057
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name(E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol
SMILESCCCCCCCCCCCCC[C@@H](O)C/C=C/OCOC
InChIInChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-19(20)16-14-17-22-18-21-2/h14,17,19-20H,3-13,15-16,18H2,1-2H3/b17-14+/t19-/m1/s1
InChIKeyQBDYTLVHSJHLEE-DQSGYLJSSA-N
XLogP5.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.57
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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Frequently Asked Questions

What is the IUPAC name of (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol?
The IUPAC name of (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol (CID 102411057) is (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol.
What is the SMILES notation for (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol?
The canonical SMILES for (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol is CCCCCCCCCCCCC[C@@H](O)C/C=C/OCOC.
What is the InChIKey of (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol?
The InChIKey is QBDYTLVHSJHLEE-DQSGYLJSSA-N. The full InChI is InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-19(20)16-14-17-22-18-21-2/h14,17,19-20H,3-13,15-16,18H2,1-2H3/b17-14+/t19-/m1/s1.
What are the key properties of (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol?
(E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol has a molecular weight of 314.51 g/mol, XLogP of 5.57, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol is sourced from PubChem (CID 102411057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).