3-methoxy-2,2-dimethylundec-10-en-4-ol

C14H28O2 — CID 107008716

IUPAC3-methoxy-2,2-dimethylundec-10-en-4-ol
SMILESC=CCCCCCC(O)C(OC)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-6-7-8-9-10-11-12(15)13(16-5)14(2,3)4/h6,12-13,15H,1,7-11H2,2-5H3
InChIKeyXAKPGPBPIBJPQK-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.54
Rot. Bonds8

About 3-methoxy-2,2-dimethylundec-10-en-4-ol

3-methoxy-2,2-dimethylundec-10-en-4-ol (PubChem CID 107008716) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethylundec-10-en-4-ol.

Molecular Properties

Compound Name3-methoxy-2,2-dimethylundec-10-en-4-ol
PubChem CID107008716
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-methoxy-2,2-dimethylundec-10-en-4-ol
SMILESC=CCCCCCC(O)C(OC)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-6-7-8-9-10-11-12(15)13(16-5)14(2,3)4/h6,12-13,15H,1,7-11H2,2-5H3
InChIKeyXAKPGPBPIBJPQK-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methoxy-2,2-dimethylundec-10-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

dec-9-ene-2,3-diol
CID 107008756
(3-methoxy-2,2-dimethylnon-8-en-4-yl)hydrazine
CID 105273329
methyl (2S)-2-tert-butylnon-8-enoate
CID 160706565
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
15,16,16-trimethylheptadec-1-ene
CID 174505406
1-cyclohexyl-1-methoxynon-8-en-2-ol
CID 107008733
1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol
CID 107012250
3-methoxy-N,2,2-trimethyloct-7-en-4-amine
CID 116724554
methyl (2S,3S)-3-hydroxy-2-[(Z)-prop-1-enyl]tridec-12-enoate
CID 134887141
3-ethoxy-2,2-dimethyldecan-4-ol
CID 116713288
1,1-dimethoxynon-8-en-2-amine
CID 107009425
bis(11,11-dimethyldodec-1-ene);bis(10,10-dimethylundec-1-ene);methane;10-methoxy-2,2-dimethylundecane;10-methoxy-2-methylundecan-2-ol;bis(2-methyldodec-11-en-2-ol);bis(2-methylundec-10-en-2-ol)
CID 160978636

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethylundec-10-en-4-ol?
The IUPAC name of 3-methoxy-2,2-dimethylundec-10-en-4-ol (CID 107008716) is 3-methoxy-2,2-dimethylundec-10-en-4-ol.
What is the SMILES notation for 3-methoxy-2,2-dimethylundec-10-en-4-ol?
The canonical SMILES for 3-methoxy-2,2-dimethylundec-10-en-4-ol is C=CCCCCCC(O)C(OC)C(C)(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethylundec-10-en-4-ol?
The InChIKey is XAKPGPBPIBJPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-8-9-10-11-12(15)13(16-5)14(2,3)4/h6,12-13,15H,1,7-11H2,2-5H3.
What are the key properties of 3-methoxy-2,2-dimethylundec-10-en-4-ol?
3-methoxy-2,2-dimethylundec-10-en-4-ol has a molecular weight of 228.38 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethylundec-10-en-4-ol is sourced from PubChem (CID 107008716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).