(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol

C14H28O3 — CID 134892497

IUPAC(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
SMILESCCCC/C(C)=C/[C@H](O)[C@@H](OCOC)C(C)C
InChIInChI=1S/C14H28O3/c1-6-7-8-12(4)9-13(15)14(11(2)3)17-10-16-5/h9,11,13-15H,6-8,10H2,1-5H3/b12-9+/t13-,14-/m0/s1
InChIKeyYWAQCFBOGSSTPR-ZJTSMVRJSA-N
MW244.37 g/mol
LogP3.13
Rot. Bonds9

About (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol

(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol (PubChem CID 134892497) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol.

Molecular Properties

Compound Name(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
PubChem CID134892497
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
SMILESCCCC/C(C)=C/[C@H](O)[C@@H](OCOC)C(C)C
InChIInChI=1S/C14H28O3/c1-6-7-8-12(4)9-13(15)14(11(2)3)17-10-16-5/h9,11,13-15H,6-8,10H2,1-5H3/b12-9+/t13-,14-/m0/s1
InChIKeyYWAQCFBOGSSTPR-ZJTSMVRJSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-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

(5E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
CID 49797963
(E,4R,5R)-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ene-1,5-diol
CID 46849798
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
CID 101696243
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-ol
CID 101696244
(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
CID 134922294
(E,1R)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3,6-dimethylhept-2-en-1-ol
CID 139258191
(E,1S)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3,6-dimethylhept-2-en-1-ol
CID 139258192
(2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 11424169
Ethyl (2-hydroxy-6-methylcyclohex-3-en-1-yl) carbonate
CID 21804647
(Z,4R,5S,6R)-6-methoxy-2,4-dimethyloct-2-ene-1,5-diol
CID 57692731
(3R)-2-[(1R)-1-methoxypropyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 57692735
2,7-Dimethyloct-2-ene-4,5-diol
CID 57723913

Frequently Asked Questions

What is the IUPAC name of (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol?
The IUPAC name of (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol (CID 134892497) is (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol.
What is the SMILES notation for (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol?
The canonical SMILES for (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol is CCCC/C(C)=C/[C@H](O)[C@@H](OCOC)C(C)C.
What is the InChIKey of (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol?
The InChIKey is YWAQCFBOGSSTPR-ZJTSMVRJSA-N. The full InChI is InChI=1S/C14H28O3/c1-6-7-8-12(4)9-13(15)14(11(2)3)17-10-16-5/h9,11,13-15H,6-8,10H2,1-5H3/b12-9+/t13-,14-/m0/s1.
What are the key properties of (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol?
(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol has a molecular weight of 244.37 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol is sourced from PubChem (CID 134892497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).