2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol

C17H30O — CID 5468654

IUPAC2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol
SMILESCC(C)(O)/C1=C/C=C/CCCCCCCCCC1
InChIInChI=1S/C17H30O/c1-17(2,18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-16/h10,12,14,18H,3-9,11,13,15H2,1-2H3/b12-10+,16-14+
InChIKeyZGSAVJYRIRRUMZ-PQSJUVMFSA-N
MW250.43 g/mol
LogP5.15
Rot. Bonds1

About 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol

2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol (PubChem CID 5468654) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol
PubChem CID5468654
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol
SMILESCC(C)(O)/C1=C/C=C/CCCCCCCCCC1
InChIInChI=1S/C17H30O/c1-17(2,18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-16/h10,12,14,18H,3-9,11,13,15H2,1-2H3/b12-10+,16-14+
InChIKeyZGSAVJYRIRRUMZ-PQSJUVMFSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol?
The IUPAC name of 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol (CID 5468654) is 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol is CC(C)(O)/C1=C/C=C/CCCCCCCCCC1.
What is the InChIKey of 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol?
The InChIKey is ZGSAVJYRIRRUMZ-PQSJUVMFSA-N. The full InChI is InChI=1S/C17H30O/c1-17(2,18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-16/h10,12,14,18H,3-9,11,13,15H2,1-2H3/b12-10+,16-14+.
What are the key properties of 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol?
2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol has a molecular weight of 250.43 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol is sourced from PubChem (CID 5468654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).