(E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol

C15H29ClO — CID 102146482

IUPAC(E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol
SMILESCCCCC(CC)C(O)/C=C(\C)CCCCCl
InChIInChI=1S/C15H29ClO/c1-4-6-10-14(5-2)15(17)12-13(3)9-7-8-11-16/h12,14-15,17H,4-11H2,1-3H3/b13-12+
InChIKeySLRNCQGSRIEFFW-OUKQBFOZSA-N
MW260.85 g/mol
LogP4.92
Rot. Bonds10

About (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol

(E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol (PubChem CID 102146482) has the molecular formula C15H29ClO and a molecular weight of 260.85 g/mol. Its IUPAC name is (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol.

Molecular Properties

Compound Name(E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol
PubChem CID102146482
Molecular FormulaC15H29ClO
Molecular Weight260.85 g/mol
Exact Mass260.19
IUPAC Name(E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol
SMILESCCCCC(CC)C(O)/C=C(\C)CCCCCl
InChIInChI=1S/C15H29ClO/c1-4-6-10-14(5-2)15(17)12-13(3)9-7-8-11-16/h12,14-15,17H,4-11H2,1-3H3/b13-12+
InChIKeySLRNCQGSRIEFFW-OUKQBFOZSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 54.92
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 (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol?
The IUPAC name of (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol (CID 102146482) is (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol.
What is the SMILES notation for (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol?
The canonical SMILES for (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol is CCCCC(CC)C(O)/C=C(\C)CCCCCl.
What is the InChIKey of (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol?
The InChIKey is SLRNCQGSRIEFFW-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H29ClO/c1-4-6-10-14(5-2)15(17)12-13(3)9-7-8-11-16/h12,14-15,17H,4-11H2,1-3H3/b13-12+.
What are the key properties of (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol?
(E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol has a molecular weight of 260.85 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol is sourced from PubChem (CID 102146482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).