2-methylocta-2,6-diene-1,8-diol

C9H16O2 — CID 57284516

IUPAC2-methylocta-2,6-diene-1,8-diol
SMILESCC(=CCCC=CCO)CO
InChIInChI=1S/C9H16O2/c1-9(8-11)6-4-2-3-5-7-10/h3,5-6,10-11H,2,4,7-8H2,1H3
InChIKeyNZAUBFJWMIAEBP-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.25
Rot. Bonds5

About 2-methylocta-2,6-diene-1,8-diol

2-methylocta-2,6-diene-1,8-diol (PubChem CID 57284516) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methylocta-2,6-diene-1,8-diol.

Molecular Properties

Compound Name2-methylocta-2,6-diene-1,8-diol
PubChem CID57284516
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methylocta-2,6-diene-1,8-diol
SMILESCC(=CCCC=CCO)CO
InChIInChI=1S/C9H16O2/c1-9(8-11)6-4-2-3-5-7-10/h3,5-6,10-11H,2,4,7-8H2,1H3
InChIKeyNZAUBFJWMIAEBP-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-ol
CID 88547692
(213C)octa-2,6-diene-1,8-diol
CID 57064560
(E)-5-chloro-2-methylpent-2-en-1-ol
CID 11094667
5-bromo-2-methylpent-2-en-1-ol
CID 54337181
(E)-5-bromo-2-methylpent-2-en-1-ol
CID 15258521
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
3-methylundeca-3,7-diene
CID 57021497
5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol
CID 145233520
3-methyldodeca-2,6,10-trien-1-ol
CID 57126192
(2E)-6-methylhepta-2,6-dien-1-ol
CID 11105375
(2Z)-6-methylhepta-2,6-dien-1-ol
CID 11217260

Frequently Asked Questions

What is the IUPAC name of 2-methylocta-2,6-diene-1,8-diol?
The IUPAC name of 2-methylocta-2,6-diene-1,8-diol (CID 57284516) is 2-methylocta-2,6-diene-1,8-diol.
What is the SMILES notation for 2-methylocta-2,6-diene-1,8-diol?
The canonical SMILES for 2-methylocta-2,6-diene-1,8-diol is CC(=CCCC=CCO)CO.
What is the InChIKey of 2-methylocta-2,6-diene-1,8-diol?
The InChIKey is NZAUBFJWMIAEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(8-11)6-4-2-3-5-7-10/h3,5-6,10-11H,2,4,7-8H2,1H3.
What are the key properties of 2-methylocta-2,6-diene-1,8-diol?
2-methylocta-2,6-diene-1,8-diol has a molecular weight of 156.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylocta-2,6-diene-1,8-diol is sourced from PubChem (CID 57284516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).