(4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one

C19H28O2 — CID 10379379

IUPAC(4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one
SMILESCCCCC/C=C\C/C=C\C/C=C\C[C@@]1(O)C=CC(=O)C1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19(21)16-14-18(20)17-19/h6-7,9-10,12-14,16,21H,2-5,8,11,15,17H2,1H3/b7-6-,10-9-,13-12-/t19-/m1/s1
InChIKeyIXJAHNXEZHXBHA-UVNABRGSSA-N
MW288.43 g/mol
LogP4.67
Rot. Bonds10

About (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one

(4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one (PubChem CID 10379379) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one
PubChem CID10379379
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one
SMILESCCCCC/C=C\C/C=C\C/C=C\C[C@@]1(O)C=CC(=O)C1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19(21)16-14-18(20)17-19/h6-7,9-10,12-14,16,21H,2-5,8,11,15,17H2,1H3/b7-6-,10-9-,13-12-/t19-/m1/s1
InChIKeyIXJAHNXEZHXBHA-UVNABRGSSA-N
XLogP4.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one?
The IUPAC name of (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one (CID 10379379) is (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one is CCCCC/C=C\C/C=C\C/C=C\C[C@@]1(O)C=CC(=O)C1.
What is the InChIKey of (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one?
The InChIKey is IXJAHNXEZHXBHA-UVNABRGSSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19(21)16-14-18(20)17-19/h6-7,9-10,12-14,16,21H,2-5,8,11,15,17H2,1H3/b7-6-,10-9-,13-12-/t19-/m1/s1.
What are the key properties of (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one?
(4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one has a molecular weight of 288.43 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one is sourced from PubChem (CID 10379379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).