[(1E)-2-methylcyclododecen-1-yl]methanol

C14H26O — CID 13267439

IUPAC[(1E)-2-methylcyclododecen-1-yl]methanol
SMILESC/C1=C(\CO)CCCCCCCCCC1
InChIInChI=1S/C14H26O/c1-13-10-8-6-4-2-3-5-7-9-11-14(13)12-15/h15H,2-12H2,1H3/b14-13+
InChIKeyZDHYRBBBANADBQ-BUHFOSPRSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds1

About [(1E)-2-methylcyclododecen-1-yl]methanol

[(1E)-2-methylcyclododecen-1-yl]methanol (PubChem CID 13267439) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is [(1E)-2-methylcyclododecen-1-yl]methanol.

Molecular Properties

Compound Name[(1E)-2-methylcyclododecen-1-yl]methanol
PubChem CID13267439
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name[(1E)-2-methylcyclododecen-1-yl]methanol
SMILESC/C1=C(\CO)CCCCCCCCCC1
InChIInChI=1S/C14H26O/c1-13-10-8-6-4-2-3-5-7-9-11-14(13)12-15/h15H,2-12H2,1H3/b14-13+
InChIKeyZDHYRBBBANADBQ-BUHFOSPRSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E)-2-methylcyclododecen-1-yl]methanol?
The IUPAC name of [(1E)-2-methylcyclododecen-1-yl]methanol (CID 13267439) is [(1E)-2-methylcyclododecen-1-yl]methanol.
What is the SMILES notation for [(1E)-2-methylcyclododecen-1-yl]methanol?
The canonical SMILES for [(1E)-2-methylcyclododecen-1-yl]methanol is C/C1=C(\CO)CCCCCCCCCC1.
What is the InChIKey of [(1E)-2-methylcyclododecen-1-yl]methanol?
The InChIKey is ZDHYRBBBANADBQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H26O/c1-13-10-8-6-4-2-3-5-7-9-11-14(13)12-15/h15H,2-12H2,1H3/b14-13+.
What are the key properties of [(1E)-2-methylcyclododecen-1-yl]methanol?
[(1E)-2-methylcyclododecen-1-yl]methanol has a molecular weight of 210.36 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-methylcyclododecen-1-yl]methanol is sourced from PubChem (CID 13267439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).