6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol

C18H34O3 — CID 169099356

IUPAC6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
SMILESC=CC(C)(CCCCCO)OC(C)(C=C)CCCCCO
InChIInChI=1S/C18H34O3/c1-5-17(3,13-9-7-11-15-19)21-18(4,6-2)14-10-8-12-16-20/h5-6,19-20H,1-2,7-16H2,3-4H3
InChIKeyOEWDRRYWBSRZPB-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.00
Rot. Bonds14

About 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol

6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol (PubChem CID 169099356) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol.

Molecular Properties

Compound Name6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
PubChem CID169099356
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
SMILESC=CC(C)(CCCCCO)OC(C)(C=C)CCCCCO
InChIInChI=1S/C18H34O3/c1-5-17(3,13-9-7-11-15-19)21-18(4,6-2)14-10-8-12-16-20/h5-6,19-20H,1-2,7-16H2,3-4H3
InChIKeyOEWDRRYWBSRZPB-UHFFFAOYSA-N
XLogP4.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
CID 142783625
3-ethoxy-3-methyldodec-1-ene
CID 160659750
7-methoxy-7-methyloctan-1-ol
CID 175444354
2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol
CID 170336565
7-chloro-7-methyloctan-1-ol
CID 139625698
(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol
CID 139975376
4,4-dimethylpentan-1-ol;3-methylbut-1-ene
CID 157179674
14-ethenoxytetradecan-1-ol
CID 139931182
3-but-3-enoxy-3-methyldodec-1-ene
CID 25185090

Frequently Asked Questions

What is the IUPAC name of 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol?
The IUPAC name of 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol (CID 169099356) is 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol.
What is the SMILES notation for 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol?
The canonical SMILES for 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol is C=CC(C)(CCCCCO)OC(C)(C=C)CCCCCO.
What is the InChIKey of 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol?
The InChIKey is OEWDRRYWBSRZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-5-17(3,13-9-7-11-15-19)21-18(4,6-2)14-10-8-12-16-20/h5-6,19-20H,1-2,7-16H2,3-4H3.
What are the key properties of 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol?
6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol has a molecular weight of 298.47 g/mol, XLogP of 4.00, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol is sourced from PubChem (CID 169099356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).