8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol

C18H30O3 — CID 174409871

IUPAC8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol
SMILESCC(C=CCCCOCCCC=CC(C)=CCO)=CCO
InChIInChI=1S/C18H30O3/c1-17(11-13-19)9-5-3-7-15-21-16-8-4-6-10-18(2)12-14-20/h5-6,9-12,19-20H,3-4,7-8,13-16H2,1-2H3
InChIKeyJVZUWZXINIWNFF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.55
Rot. Bonds12

About 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol

8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol (PubChem CID 174409871) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol.

Molecular Properties

Compound Name8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol
PubChem CID174409871
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol
SMILESCC(C=CCCCOCCCC=CC(C)=CCO)=CCO
InChIInChI=1S/C18H30O3/c1-17(11-13-19)9-5-3-7-15-21-16-8-4-6-10-18(2)12-14-20/h5-6,9-12,19-20H,3-4,7-8,13-16H2,1-2H3
InChIKeyJVZUWZXINIWNFF-UHFFFAOYSA-N
XLogP3.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol with MolForge

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Related Compounds

(3E)-4-methyldeca-3,5-diene
CID 173452678
5-bromo-3-methylpenta-2,4-dien-1-ol
CID 138114565
(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol
CID 14991226
(2E)-3,7-dimethylocta-2,6-dien-1-ol;1-hexoxyhexane
CID 174942074
3-methylocta-2,4,6-trien-1-ol
CID 130124602
1-undec-4-enoxyundec-4-ene
CID 91358832
6-(3-hydroxypropoxy)-2-methylhex-2-enoic acid
CID 91086450
6-propoxyhex-2-ene
CID 90940271
(Z)-1-butoxyheptadec-8-ene
CID 87205101
[(2E,4E)-6-hydroxy-3-methylhexa-2,4-dienyl] acetate
CID 88832469
2-[(4E)-octa-4,7-dienoxy]ethanol
CID 87090687
2-octa-4,7-dienoxyethanol
CID 123490176

Frequently Asked Questions

What is the IUPAC name of 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol?
The IUPAC name of 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol (CID 174409871) is 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol.
What is the SMILES notation for 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol?
The canonical SMILES for 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol is CC(C=CCCCOCCCC=CC(C)=CCO)=CCO.
What is the InChIKey of 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol?
The InChIKey is JVZUWZXINIWNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-17(11-13-19)9-5-3-7-15-21-16-8-4-6-10-18(2)12-14-20/h5-6,9-12,19-20H,3-4,7-8,13-16H2,1-2H3.
What are the key properties of 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol?
8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.55, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-hydroxy-6-methylocta-4,6-dienoxy)-3-methylocta-2,4-dien-1-ol is sourced from PubChem (CID 174409871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).