(Z,4R)-2-methyldodec-5-en-4-ol

C13H26O — CID 14961442

IUPAC(Z,4R)-2-methyldodec-5-en-4-ol
SMILESCCCCCC/C=C\[C@H](O)CC(C)C
InChIInChI=1S/C13H26O/c1-4-5-6-7-8-9-10-13(14)11-12(2)3/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-/t13-/m0/s1
InChIKeyUJGUKHXDMCEZPY-XPSMFNQNSA-N
MW198.35 g/mol
LogP3.92
Rot. Bonds8

About (Z,4R)-2-methyldodec-5-en-4-ol

(Z,4R)-2-methyldodec-5-en-4-ol (PubChem CID 14961442) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z,4R)-2-methyldodec-5-en-4-ol.

Molecular Properties

Compound Name(Z,4R)-2-methyldodec-5-en-4-ol
PubChem CID14961442
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(Z,4R)-2-methyldodec-5-en-4-ol
SMILESCCCCCC/C=C\[C@H](O)CC(C)C
InChIInChI=1S/C13H26O/c1-4-5-6-7-8-9-10-13(14)11-12(2)3/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-/t13-/m0/s1
InChIKeyUJGUKHXDMCEZPY-XPSMFNQNSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-aminooctadec-4-ene-1,3-diol
CID 154508434
11-methyldodec-7-ene-2,9-diol
CID 123206187
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
henicos-7-en-6-ol
CID 91409967
undec-3-en-2-ol
CID 174515693
(E)-1-aminodec-3-en-2-ol
CID 101275263
undec-5-en-4-ol
CID 73071371
(Z,2R)-non-3-en-2-ol
CID 11040800
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
3-methyltetradec-4-ene
CID 123180851

Frequently Asked Questions

What is the IUPAC name of (Z,4R)-2-methyldodec-5-en-4-ol?
The IUPAC name of (Z,4R)-2-methyldodec-5-en-4-ol (CID 14961442) is (Z,4R)-2-methyldodec-5-en-4-ol.
What is the SMILES notation for (Z,4R)-2-methyldodec-5-en-4-ol?
The canonical SMILES for (Z,4R)-2-methyldodec-5-en-4-ol is CCCCCC/C=C\[C@H](O)CC(C)C.
What is the InChIKey of (Z,4R)-2-methyldodec-5-en-4-ol?
The InChIKey is UJGUKHXDMCEZPY-XPSMFNQNSA-N. The full InChI is InChI=1S/C13H26O/c1-4-5-6-7-8-9-10-13(14)11-12(2)3/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-/t13-/m0/s1.
What are the key properties of (Z,4R)-2-methyldodec-5-en-4-ol?
(Z,4R)-2-methyldodec-5-en-4-ol has a molecular weight of 198.35 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-2-methyldodec-5-en-4-ol is sourced from PubChem (CID 14961442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).