(Z)-1,1-dibutoxy-6-chlorohex-2-ene

C14H27ClO2 — CID 146574540

IUPAC(Z)-1,1-dibutoxy-6-chlorohex-2-ene
SMILESCCCCOC(/C=C\CCCCl)OCCCC
InChIInChI=1S/C14H27ClO2/c1-3-5-12-16-14(17-13-6-4-2)10-8-7-9-11-15/h8,10,14H,3-7,9,11-13H2,1-2H3/b10-8-
InChIKeyOEQCGANHMGYQKT-NTMALXAHSA-N
MW262.82 g/mol
LogP4.52
Rot. Bonds12

About (Z)-1,1-dibutoxy-6-chlorohex-2-ene

(Z)-1,1-dibutoxy-6-chlorohex-2-ene (PubChem CID 146574540) has the molecular formula C14H27ClO2 and a molecular weight of 262.82 g/mol. Its IUPAC name is (Z)-1,1-dibutoxy-6-chlorohex-2-ene.

Molecular Properties

Compound Name(Z)-1,1-dibutoxy-6-chlorohex-2-ene
PubChem CID146574540
Molecular FormulaC14H27ClO2
Molecular Weight262.82 g/mol
Exact Mass262.17
IUPAC Name(Z)-1,1-dibutoxy-6-chlorohex-2-ene
SMILESCCCCOC(/C=C\CCCCl)OCCCC
InChIInChI=1S/C14H27ClO2/c1-3-5-12-16-14(17-13-6-4-2)10-8-7-9-11-15/h8,10,14H,3-7,9,11-13H2,1-2H3/b10-8-
InChIKeyOEQCGANHMGYQKT-NTMALXAHSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1-dibutoxy-6-chlorohex-2-ene?
The IUPAC name of (Z)-1,1-dibutoxy-6-chlorohex-2-ene (CID 146574540) is (Z)-1,1-dibutoxy-6-chlorohex-2-ene.
What is the SMILES notation for (Z)-1,1-dibutoxy-6-chlorohex-2-ene?
The canonical SMILES for (Z)-1,1-dibutoxy-6-chlorohex-2-ene is CCCCOC(/C=C\CCCCl)OCCCC.
What is the InChIKey of (Z)-1,1-dibutoxy-6-chlorohex-2-ene?
The InChIKey is OEQCGANHMGYQKT-NTMALXAHSA-N. The full InChI is InChI=1S/C14H27ClO2/c1-3-5-12-16-14(17-13-6-4-2)10-8-7-9-11-15/h8,10,14H,3-7,9,11-13H2,1-2H3/b10-8-.
What are the key properties of (Z)-1,1-dibutoxy-6-chlorohex-2-ene?
(Z)-1,1-dibutoxy-6-chlorohex-2-ene has a molecular weight of 262.82 g/mol, XLogP of 4.52, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1-dibutoxy-6-chlorohex-2-ene is sourced from PubChem (CID 146574540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).