7-chlorohept-1-en-3-ol

C7H13ClO — CID 55303772

IUPAC7-chlorohept-1-en-3-ol
SMILESC=CC(O)CCCCCl
InChIInChI=1S/C7H13ClO/c1-2-7(9)5-3-4-6-8/h2,7,9H,1,3-6H2
InChIKeyJBIGBWSQBPFDPT-UHFFFAOYSA-N
MW148.63 g/mol
LogP1.94
Rot. Bonds5

About 7-chlorohept-1-en-3-ol

7-chlorohept-1-en-3-ol (PubChem CID 55303772) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 7-chlorohept-1-en-3-ol.

Molecular Properties

Compound Name7-chlorohept-1-en-3-ol
PubChem CID55303772
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name7-chlorohept-1-en-3-ol
SMILESC=CC(O)CCCCCl
InChIInChI=1S/C7H13ClO/c1-2-7(9)5-3-4-6-8/h2,7,9H,1,3-6H2
InChIKeyJBIGBWSQBPFDPT-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 7-chlorohept-1-en-3-ol?
The IUPAC name of 7-chlorohept-1-en-3-ol (CID 55303772) is 7-chlorohept-1-en-3-ol.
What is the SMILES notation for 7-chlorohept-1-en-3-ol?
The canonical SMILES for 7-chlorohept-1-en-3-ol is C=CC(O)CCCCCl.
What is the InChIKey of 7-chlorohept-1-en-3-ol?
The InChIKey is JBIGBWSQBPFDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-2-7(9)5-3-4-6-8/h2,7,9H,1,3-6H2.
What are the key properties of 7-chlorohept-1-en-3-ol?
7-chlorohept-1-en-3-ol has a molecular weight of 148.63 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorohept-1-en-3-ol is sourced from PubChem (CID 55303772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).