2-[(2E)-octa-2,7-dienoxy]ethanol

C10H18O2 — CID 12576859

IUPAC2-[(2E)-octa-2,7-dienoxy]ethanol
SMILESC=CCCC/C=C/COCCO
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,6-7,11H,1,3-5,8-10H2/b7-6+
InChIKeyBLHPBLHXZZXLRT-VOTSOKGWSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds8

About 2-[(2E)-octa-2,7-dienoxy]ethanol

2-[(2E)-octa-2,7-dienoxy]ethanol (PubChem CID 12576859) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(2E)-octa-2,7-dienoxy]ethanol.

Molecular Properties

Compound Name2-[(2E)-octa-2,7-dienoxy]ethanol
PubChem CID12576859
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(2E)-octa-2,7-dienoxy]ethanol
SMILESC=CCCC/C=C/COCCO
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,6-7,11H,1,3-5,8-10H2/b7-6+
InChIKeyBLHPBLHXZZXLRT-VOTSOKGWSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-octa-2,7-dienoxy]ethanol?
The IUPAC name of 2-[(2E)-octa-2,7-dienoxy]ethanol (CID 12576859) is 2-[(2E)-octa-2,7-dienoxy]ethanol.
What is the SMILES notation for 2-[(2E)-octa-2,7-dienoxy]ethanol?
The canonical SMILES for 2-[(2E)-octa-2,7-dienoxy]ethanol is C=CCCC/C=C/COCCO.
What is the InChIKey of 2-[(2E)-octa-2,7-dienoxy]ethanol?
The InChIKey is BLHPBLHXZZXLRT-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,6-7,11H,1,3-5,8-10H2/b7-6+.
What are the key properties of 2-[(2E)-octa-2,7-dienoxy]ethanol?
2-[(2E)-octa-2,7-dienoxy]ethanol has a molecular weight of 170.25 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-octa-2,7-dienoxy]ethanol is sourced from PubChem (CID 12576859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).