1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol

C17H32O — CID 134875165

IUPAC1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol
SMILESC/C=C(\C)C1(O)CCCCCCCCCCCC1
InChIInChI=1S/C17H32O/c1-3-16(2)17(18)14-12-10-8-6-4-5-7-9-11-13-15-17/h3,18H,4-15H2,1-2H3/b16-3+
InChIKeyFAMMGPXVBPLHIF-HQYXKAPLSA-N
MW252.44 g/mol
LogP5.38
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol

1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol (PubChem CID 134875165) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol
PubChem CID134875165
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol
SMILESC/C=C(\C)C1(O)CCCCCCCCCCCC1
InChIInChI=1S/C17H32O/c1-3-16(2)17(18)14-12-10-8-6-4-5-7-9-11-13-15-17/h3,18H,4-15H2,1-2H3/b16-3+
InChIKeyFAMMGPXVBPLHIF-HQYXKAPLSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.38
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 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol?
The IUPAC name of 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol (CID 134875165) is 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol is C/C=C(\C)C1(O)CCCCCCCCCCCC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol?
The InChIKey is FAMMGPXVBPLHIF-HQYXKAPLSA-N. The full InChI is InChI=1S/C17H32O/c1-3-16(2)17(18)14-12-10-8-6-4-5-7-9-11-13-15-17/h3,18H,4-15H2,1-2H3/b16-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol?
1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol has a molecular weight of 252.44 g/mol, XLogP of 5.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol is sourced from PubChem (CID 134875165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).