9-(3,7-dimethyloct-6-enoxy)nonan-1-ol

C19H38O2 — CID 175023026

IUPAC9-(3,7-dimethyloct-6-enoxy)nonan-1-ol
SMILESCC(C)=CCCC(C)CCOCCCCCCCCCO
InChIInChI=1S/C19H38O2/c1-18(2)12-11-13-19(3)14-17-21-16-10-8-6-4-5-7-9-15-20/h12,19-20H,4-11,13-17H2,1-3H3
InChIKeyVHTRBTRVRUTFEX-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.50
Rot. Bonds15

About 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol

9-(3,7-dimethyloct-6-enoxy)nonan-1-ol (PubChem CID 175023026) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol.

Molecular Properties

Compound Name9-(3,7-dimethyloct-6-enoxy)nonan-1-ol
PubChem CID175023026
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name9-(3,7-dimethyloct-6-enoxy)nonan-1-ol
SMILESCC(C)=CCCC(C)CCOCCCCCCCCCO
InChIInChI=1S/C19H38O2/c1-18(2)12-11-13-19(3)14-17-21-16-10-8-6-4-5-7-9-15-20/h12,19-20H,4-11,13-17H2,1-3H3
InChIKeyVHTRBTRVRUTFEX-UHFFFAOYSA-N
XLogP5.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.50
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 9-(3,7-dimethyloct-6-enoxy)nonan-1-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

(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene
CID 173253621
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264
bis(3,7-dimethyloct-6-enoxy)methanediol
CID 18544976
2-[2-[4-[(3S)-3,7-dimethyloct-6-enyl]piperazin-1-yl]ethoxy]ethanol
CID 30327049
4-O-(3,7-dimethyloct-6-enyl) 1-O-hexadecyl butanedioate
CID 91695173
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268
(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
CID 87863892
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]octadecane;1-(3,7,11-trimethyldodecoxy)octadecane
CID 159018519
2,6,10-trimethylundec-2-ene
CID 14805750
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
3,7-dimethyloct-6-enyl 2-hydroxypropanoate
CID 15413263

Frequently Asked Questions

What is the IUPAC name of 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol?
The IUPAC name of 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol (CID 175023026) is 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol.
What is the SMILES notation for 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol?
The canonical SMILES for 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol is CC(C)=CCCC(C)CCOCCCCCCCCCO.
What is the InChIKey of 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol?
The InChIKey is VHTRBTRVRUTFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-18(2)12-11-13-19(3)14-17-21-16-10-8-6-4-5-7-9-15-20/h12,19-20H,4-11,13-17H2,1-3H3.
What are the key properties of 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol?
9-(3,7-dimethyloct-6-enoxy)nonan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 5.50, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,7-dimethyloct-6-enoxy)nonan-1-ol is sourced from PubChem (CID 175023026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).