(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol

C13H26O3 — CID 10466412

IUPAC(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
SMILESC/C=C/[C@@H](OCOC)[C@@H](O)CCCCCC
InChIInChI=1S/C13H26O3/c1-4-6-7-8-10-12(14)13(9-5-2)16-11-15-3/h5,9,12-14H,4,6-8,10-11H2,1-3H3/b9-5+/t12-,13+/m0/s1
InChIKeyLXSQOMDZZRAAMX-ZUYHJEFZSA-N
MW230.35 g/mol
LogP2.88
Rot. Bonds10

About (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol

(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol (PubChem CID 10466412) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol.

Molecular Properties

Compound Name(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
PubChem CID10466412
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
SMILESC/C=C/[C@@H](OCOC)[C@@H](O)CCCCCC
InChIInChI=1S/C13H26O3/c1-4-6-7-8-10-12(14)13(9-5-2)16-11-15-3/h5,9,12-14H,4,6-8,10-11H2,1-3H3/b9-5+/t12-,13+/m0/s1
InChIKeyLXSQOMDZZRAAMX-ZUYHJEFZSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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 (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-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

(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 53305121
2-(hydroxymethyl)-6-undec-10-enoxy-3,6-dihydro-2H-pyran-3-ol
CID 388312
(e)-4-Hydroxy-2-nonenal-diethylacetal
CID 14298925
4-Hydroxynonenal-diethylacetal
CID 57319218
(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
CID 10331368
(E,4R,5S)-4-(methoxymethoxy)tridec-2-en-6-yn-5-ol
CID 10445037
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
(E,2R)-2-(methoxymethoxy)octadec-3-en-1-ol
CID 11221163
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol
CID 11381001
(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 12965306

Frequently Asked Questions

What is the IUPAC name of (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol?
The IUPAC name of (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol (CID 10466412) is (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol.
What is the SMILES notation for (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol?
The canonical SMILES for (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol is C/C=C/[C@@H](OCOC)[C@@H](O)CCCCCC.
What is the InChIKey of (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol?
The InChIKey is LXSQOMDZZRAAMX-ZUYHJEFZSA-N. The full InChI is InChI=1S/C13H26O3/c1-4-6-7-8-10-12(14)13(9-5-2)16-11-15-3/h5,9,12-14H,4,6-8,10-11H2,1-3H3/b9-5+/t12-,13+/m0/s1.
What are the key properties of (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol?
(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol has a molecular weight of 230.35 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol is sourced from PubChem (CID 10466412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).