7-methyldodec-1-en-1-ol

C13H26O — CID 73437355

IUPAC7-methyldodec-1-en-1-ol
SMILESCCCCCC(C)CCCCC=CO
InChIInChI=1S/C13H26O/c1-3-4-7-10-13(2)11-8-5-6-9-12-14/h9,12-14H,3-8,10-11H2,1-2H3
InChIKeyDDTADOKGHCDIET-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.83
Rot. Bonds9

About 7-methyldodec-1-en-1-ol

7-methyldodec-1-en-1-ol (PubChem CID 73437355) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 7-methyldodec-1-en-1-ol.

Molecular Properties

Compound Name7-methyldodec-1-en-1-ol
PubChem CID73437355
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name7-methyldodec-1-en-1-ol
SMILESCCCCCC(C)CCCCC=CO
InChIInChI=1S/C13H26O/c1-3-4-7-10-13(2)11-8-5-6-9-12-14/h9,12-14H,3-8,10-11H2,1-2H3
InChIKeyDDTADOKGHCDIET-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methylpentadec-1-en-1-ol
CID 73444585
(E)-7-methylpentadec-1-en-1-ol
CID 18427313
12-methylicos-6-ene
CID 91498266
(E)-13-methyltetracos-6-ene
CID 173194183
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
(E)-pentacos-1-en-1-ol
CID 135335589
(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617
(Z)-pentadec-1-en-1-ol
CID 135331786
(E)-20-methyloctacos-4-ene
CID 173194294
8-methyltridec-2-ene
CID 154258032

Frequently Asked Questions

What is the IUPAC name of 7-methyldodec-1-en-1-ol?
The IUPAC name of 7-methyldodec-1-en-1-ol (CID 73437355) is 7-methyldodec-1-en-1-ol.
What is the SMILES notation for 7-methyldodec-1-en-1-ol?
The canonical SMILES for 7-methyldodec-1-en-1-ol is CCCCCC(C)CCCCC=CO.
What is the InChIKey of 7-methyldodec-1-en-1-ol?
The InChIKey is DDTADOKGHCDIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-7-10-13(2)11-8-5-6-9-12-14/h9,12-14H,3-8,10-11H2,1-2H3.
What are the key properties of 7-methyldodec-1-en-1-ol?
7-methyldodec-1-en-1-ol has a molecular weight of 198.35 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyldodec-1-en-1-ol is sourced from PubChem (CID 73437355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).