11-methyldodec-7-ene-2,9-diol

C13H26O2 — CID 123206187

IUPAC11-methyldodec-7-ene-2,9-diol
SMILESCC(C)CC(O)C=CCCCCC(C)O
InChIInChI=1S/C13H26O2/c1-11(2)10-13(15)9-7-5-4-6-8-12(3)14/h7,9,11-15H,4-6,8,10H2,1-3H3
InChIKeyPFADHVRTFHVQOZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.89
Rot. Bonds8

About 11-methyldodec-7-ene-2,9-diol

11-methyldodec-7-ene-2,9-diol (PubChem CID 123206187) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 11-methyldodec-7-ene-2,9-diol.

Molecular Properties

Compound Name11-methyldodec-7-ene-2,9-diol
PubChem CID123206187
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name11-methyldodec-7-ene-2,9-diol
SMILESCC(C)CC(O)C=CCCCCC(C)O
InChIInChI=1S/C13H26O2/c1-11(2)10-13(15)9-7-5-4-6-8-12(3)14/h7,9,11-15H,4-6,8,10H2,1-3H3
InChIKeyPFADHVRTFHVQOZ-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z,4R)-2-methyldodec-5-en-4-ol
CID 14961442
dec-3-ene-2,9-diol
CID 57127068
(E)-non-7-en-2-ol
CID 14615052
(Z)-tridec-7-en-2-ol
CID 89138962
(E,2R)-dec-7-en-2-ol
CID 89151124
heptadec-9-en-2-ol
CID 54154410
(E)-undec-8-en-2-ol
CID 118316981
(Z)-henicos-12-en-2-ol
CID 141141779
(E)-tridec-8-en-2-ol
CID 173250287
icos-9-en-2-ol
CID 91416664
trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide
CID 11851403
henicos-7-en-6-ol
CID 91409967

Frequently Asked Questions

What is the IUPAC name of 11-methyldodec-7-ene-2,9-diol?
The IUPAC name of 11-methyldodec-7-ene-2,9-diol (CID 123206187) is 11-methyldodec-7-ene-2,9-diol.
What is the SMILES notation for 11-methyldodec-7-ene-2,9-diol?
The canonical SMILES for 11-methyldodec-7-ene-2,9-diol is CC(C)CC(O)C=CCCCCC(C)O.
What is the InChIKey of 11-methyldodec-7-ene-2,9-diol?
The InChIKey is PFADHVRTFHVQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(2)10-13(15)9-7-5-4-6-8-12(3)14/h7,9,11-15H,4-6,8,10H2,1-3H3.
What are the key properties of 11-methyldodec-7-ene-2,9-diol?
11-methyldodec-7-ene-2,9-diol has a molecular weight of 214.35 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyldodec-7-ene-2,9-diol is sourced from PubChem (CID 123206187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).