(1E)-5-chlorohepta-1,6-dien-1-ol

C7H11ClO — CID 142805814

IUPAC(1E)-5-chlorohepta-1,6-dien-1-ol
SMILESC=CC(Cl)CC/C=C/O
InChIInChI=1S/C7H11ClO/c1-2-7(8)5-3-4-6-9/h2,4,6-7,9H,1,3,5H2/b6-4+
InChIKeyYJXBMDKQMIKMQF-GQCTYLIASA-N
MW146.62 g/mol
LogP2.63
Rot. Bonds4

About (1E)-5-chlorohepta-1,6-dien-1-ol

(1E)-5-chlorohepta-1,6-dien-1-ol (PubChem CID 142805814) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is (1E)-5-chlorohepta-1,6-dien-1-ol.

Molecular Properties

Compound Name(1E)-5-chlorohepta-1,6-dien-1-ol
PubChem CID142805814
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name(1E)-5-chlorohepta-1,6-dien-1-ol
SMILESC=CC(Cl)CC/C=C/O
InChIInChI=1S/C7H11ClO/c1-2-7(8)5-3-4-6-9/h2,4,6-7,9H,1,3,5H2/b6-4+
InChIKeyYJXBMDKQMIKMQF-GQCTYLIASA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-5-chlorohepta-1,6-dien-1-ol?
The IUPAC name of (1E)-5-chlorohepta-1,6-dien-1-ol (CID 142805814) is (1E)-5-chlorohepta-1,6-dien-1-ol.
What is the SMILES notation for (1E)-5-chlorohepta-1,6-dien-1-ol?
The canonical SMILES for (1E)-5-chlorohepta-1,6-dien-1-ol is C=CC(Cl)CC/C=C/O.
What is the InChIKey of (1E)-5-chlorohepta-1,6-dien-1-ol?
The InChIKey is YJXBMDKQMIKMQF-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11ClO/c1-2-7(8)5-3-4-6-9/h2,4,6-7,9H,1,3,5H2/b6-4+.
What are the key properties of (1E)-5-chlorohepta-1,6-dien-1-ol?
(1E)-5-chlorohepta-1,6-dien-1-ol has a molecular weight of 146.62 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-5-chlorohepta-1,6-dien-1-ol is sourced from PubChem (CID 142805814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).