4,8-dimethyl-8-pentoxynon-1-en-3-ol

C16H32O2 — CID 134207773

IUPAC4,8-dimethyl-8-pentoxynon-1-en-3-ol
SMILESC=CC(O)C(C)CCCC(C)(C)OCCCCC
InChIInChI=1S/C16H32O2/c1-6-8-9-13-18-16(4,5)12-10-11-14(3)15(17)7-2/h7,14-15,17H,2,6,8-13H2,1,3-5H3
InChIKeyNYSFNNXYKLJLAZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.33
Rot. Bonds11

About 4,8-dimethyl-8-pentoxynon-1-en-3-ol

4,8-dimethyl-8-pentoxynon-1-en-3-ol (PubChem CID 134207773) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 4,8-dimethyl-8-pentoxynon-1-en-3-ol.

Molecular Properties

Compound Name4,8-dimethyl-8-pentoxynon-1-en-3-ol
PubChem CID134207773
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name4,8-dimethyl-8-pentoxynon-1-en-3-ol
SMILESC=CC(O)C(C)CCCC(C)(C)OCCCCC
InChIInChI=1S/C16H32O2/c1-6-8-9-13-18-16(4,5)12-10-11-14(3)15(17)7-2/h7,14-15,17H,2,6,8-13H2,1,3-5H3
InChIKeyNYSFNNXYKLJLAZ-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.33
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 4,8-dimethyl-8-pentoxynon-1-en-3-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

2-dodecoxy-2-methyltetradecane
CID 158074564
(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
CID 135016264
2-methyl-2-propoxyhexane
CID 91043348
2,8-dimethyl-2-octoxynonan-4-amine
CID 167249393
4-(3-methyl-3-pentoxybutoxy)butan-1-ol
CID 166741277
2,6-dimethyloct-7-en-2-yloxymethanethiol
CID 57007334
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
4-(2-methylhexan-2-yloxy)butanal
CID 87079599
(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
CID 24854557
7-ethoxy-2,3,7-trimethyloctanal
CID 59560846
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
3-[dihexoxy(methoxy)methyl]undec-1-ene
CID 151120390

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-8-pentoxynon-1-en-3-ol?
The IUPAC name of 4,8-dimethyl-8-pentoxynon-1-en-3-ol (CID 134207773) is 4,8-dimethyl-8-pentoxynon-1-en-3-ol.
What is the SMILES notation for 4,8-dimethyl-8-pentoxynon-1-en-3-ol?
The canonical SMILES for 4,8-dimethyl-8-pentoxynon-1-en-3-ol is C=CC(O)C(C)CCCC(C)(C)OCCCCC.
What is the InChIKey of 4,8-dimethyl-8-pentoxynon-1-en-3-ol?
The InChIKey is NYSFNNXYKLJLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-8-9-13-18-16(4,5)12-10-11-14(3)15(17)7-2/h7,14-15,17H,2,6,8-13H2,1,3-5H3.
What are the key properties of 4,8-dimethyl-8-pentoxynon-1-en-3-ol?
4,8-dimethyl-8-pentoxynon-1-en-3-ol has a molecular weight of 256.43 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-8-pentoxynon-1-en-3-ol is sourced from PubChem (CID 134207773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).