(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol

C13H26O3 — CID 11322182

IUPAC(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
SMILESC=CC[C@H](O)[C@H](CCCCCC)OCOC
InChIInChI=1S/C13H26O3/c1-4-6-7-8-10-13(16-11-15-3)12(14)9-5-2/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13-/m0/s1
InChIKeyXVZSAUJJDWILRK-STQMWFEESA-N
MW230.35 g/mol
LogP2.88
Rot. Bonds11

About (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol

(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol (PubChem CID 11322182) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
PubChem CID11322182
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
SMILESC=CC[C@H](O)[C@H](CCCCCC)OCOC
InChIInChI=1S/C13H26O3/c1-4-6-7-8-10-13(16-11-15-3)12(14)9-5-2/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13-/m0/s1
InChIKeyXVZSAUJJDWILRK-STQMWFEESA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.88
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 (4S,5S)-5-(methoxymethoxy)undec-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

Related Compounds

(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 10466412
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(2S)-7-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-ol
CID 25018184
5-Methoxymethoxy-9-methyl-deca-1,8-dien-4-ol
CID 53305073
1-(6-Allyl-3-methoxymethoxy-tetrahydro-pyran-2-yl)-propan-2-ol
CID 53305213
(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol
CID 72708008
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559
(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol
CID 102478541

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol?
The IUPAC name of (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol (CID 11322182) is (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol.
What is the SMILES notation for (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol?
The canonical SMILES for (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol is C=CC[C@H](O)[C@H](CCCCCC)OCOC.
What is the InChIKey of (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol?
The InChIKey is XVZSAUJJDWILRK-STQMWFEESA-N. The full InChI is InChI=1S/C13H26O3/c1-4-6-7-8-10-13(16-11-15-3)12(14)9-5-2/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13-/m0/s1.
What are the key properties of (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol?
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol has a molecular weight of 230.35 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol is sourced from PubChem (CID 11322182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).