(3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol

C14H28O3 — CID 10610325

IUPAC(3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol
SMILESC=C[C@H](COCOC)[C@H](O)CCCCCCC
InChIInChI=1S/C14H28O3/c1-4-6-7-8-9-10-14(15)13(5-2)11-17-12-16-3/h5,13-15H,2,4,6-12H2,1,3H3/t13-,14-/m1/s1
InChIKeyLJFRRXJVTZBCLR-ZIAGYGMSSA-N
MW244.37 g/mol
LogP3.13
Rot. Bonds12

About (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol

(3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol (PubChem CID 10610325) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol
PubChem CID10610325
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol
SMILESC=C[C@H](COCOC)[C@H](O)CCCCCCC
InChIInChI=1S/C14H28O3/c1-4-6-7-8-9-10-14(15)13(5-2)11-17-12-16-3/h5,13-15H,2,4,6-12H2,1,3H3/t13-,14-/m1/s1
InChIKeyLJFRRXJVTZBCLR-ZIAGYGMSSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol?
The IUPAC name of (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol (CID 10610325) is (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol.
What is the SMILES notation for (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol?
The canonical SMILES for (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol is C=C[C@H](COCOC)[C@H](O)CCCCCCC.
What is the InChIKey of (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol?
The InChIKey is LJFRRXJVTZBCLR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H28O3/c1-4-6-7-8-9-10-14(15)13(5-2)11-17-12-16-3/h5,13-15H,2,4,6-12H2,1,3H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol?
(3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol has a molecular weight of 244.37 g/mol, XLogP of 3.13, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(methoxymethoxymethyl)undec-1-en-4-ol is sourced from PubChem (CID 10610325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).