acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol

C16H32O5 — CID 174503934

IUPACacetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol
SMILESCC(=O)O.CC(C)=CCCC(C)CCO.CCCC(=O)O
InChIInChI=1S/C10H20O.C4H8O2.C2H4O2/c1-9(2)5-4-6-10(3)7-8-11;1-2-3-4(5)6;1-2(3)4/h5,10-11H,4,6-8H2,1-3H3;2-3H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeySLHPJJRGBKSGCR-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.71
Rot. Bonds7

About acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol

acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol (PubChem CID 174503934) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Nameacetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol
PubChem CID174503934
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameacetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol
SMILESCC(=O)O.CC(C)=CCCC(C)CCO.CCCC(=O)O
InChIInChI=1S/C10H20O.C4H8O2.C2H4O2/c1-9(2)5-4-6-10(3)7-8-11;1-2-3-4(5)6;1-2(3)4/h5,10-11H,4,6-8H2,1-3H3;2-3H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeySLHPJJRGBKSGCR-UHFFFAOYSA-N
XLogP3.71
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;butanoic acid;3,7-dimethyloct-6-en-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

3,7-dimethyloct-6-en-1-ol;hexanal
CID 88603702
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
8,12-dimethyltridec-11-en-4-one
CID 71359316
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264
acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol
CID 174949943
[(3R)-3,7-dimethyloct-6-enyl] butanoate
CID 23616651
bis(hexanoic acid);3-methylpentane-1,5-diol
CID 87072933
acetic acid;formic acid;3-methylpentane-1,5-diol
CID 87753829

Frequently Asked Questions

What is the IUPAC name of acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol?
The IUPAC name of acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol (CID 174503934) is acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol is CC(=O)O.CC(C)=CCCC(C)CCO.CCCC(=O)O.
What is the InChIKey of acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol?
The InChIKey is SLHPJJRGBKSGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C4H8O2.C2H4O2/c1-9(2)5-4-6-10(3)7-8-11;1-2-3-4(5)6;1-2(3)4/h5,10-11H,4,6-8H2,1-3H3;2-3H2,1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol?
acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol has a molecular weight of 304.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 174503934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).