(3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol

C18H36O3 — CID 11185680

IUPAC(3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol
SMILESC=C[C@@H](OCOC)[C@@H](O)CCCCCCCCCCCC
InChIInChI=1S/C18H36O3/c1-4-6-7-8-9-10-11-12-13-14-15-17(19)18(5-2)21-16-20-3/h5,17-19H,2,4,6-16H2,1,3H3/t17-,18+/m0/s1
InChIKeyBETYXOZGGRYWQZ-ZWKOTPCHSA-N
MW300.48 g/mol
LogP4.83
Rot. Bonds16

About (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol

(3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol (PubChem CID 11185680) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol
PubChem CID11185680
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name(3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol
SMILESC=C[C@@H](OCOC)[C@@H](O)CCCCCCCCCCCC
InChIInChI=1S/C18H36O3/c1-4-6-7-8-9-10-11-12-13-14-15-17(19)18(5-2)21-16-20-3/h5,17-19H,2,4,6-16H2,1,3H3/t17-,18+/m0/s1
InChIKeyBETYXOZGGRYWQZ-ZWKOTPCHSA-N
XLogP4.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.83
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'}

Analyze (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol?
The IUPAC name of (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol (CID 11185680) is (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol.
What is the SMILES notation for (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol?
The canonical SMILES for (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol is C=C[C@@H](OCOC)[C@@H](O)CCCCCCCCCCCC.
What is the InChIKey of (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol?
The InChIKey is BETYXOZGGRYWQZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H36O3/c1-4-6-7-8-9-10-11-12-13-14-15-17(19)18(5-2)21-16-20-3/h5,17-19H,2,4,6-16H2,1,3H3/t17-,18+/m0/s1.
What are the key properties of (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol?
(3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol has a molecular weight of 300.48 g/mol, XLogP of 4.83, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(methoxymethoxy)hexadec-1-en-4-ol is sourced from PubChem (CID 11185680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).