[(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol

C8H14O2 — CID 118328316

IUPAC[(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol
SMILESC/C=C/C=C(\CC)OCO
InChIInChI=1S/C8H14O2/c1-3-5-6-8(4-2)10-7-9/h3,5-6,9H,4,7H2,1-2H3/b5-3+,8-6+
InChIKeyGZWAUXOETJFEAG-QFXXITGJSA-N
MW142.20 g/mol
LogP1.82
Rot. Bonds4

About [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol

[(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol (PubChem CID 118328316) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol.

Molecular Properties

Compound Name[(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol
PubChem CID118328316
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol
SMILESC/C=C/C=C(\CC)OCO
InChIInChI=1S/C8H14O2/c1-3-5-6-8(4-2)10-7-9/h3,5-6,9H,4,7H2,1-2H3/b5-3+,8-6+
InChIKeyGZWAUXOETJFEAG-QFXXITGJSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol?
The IUPAC name of [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol (CID 118328316) is [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol.
What is the SMILES notation for [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol?
The canonical SMILES for [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol is C/C=C/C=C(\CC)OCO.
What is the InChIKey of [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol?
The InChIKey is GZWAUXOETJFEAG-QFXXITGJSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-6-8(4-2)10-7-9/h3,5-6,9H,4,7H2,1-2H3/b5-3+,8-6+.
What are the key properties of [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol?
[(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol has a molecular weight of 142.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-hepta-3,5-dien-3-yl]oxymethanol is sourced from PubChem (CID 118328316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).