(2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one

C24H42O3 — CID 122178736

IUPAC(2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one
SMILESCCCCCCCC/C=C\CCCCCCC[C@H](O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(25)21-23-19-17-20-24(26)27-23/h9-10,17,20,22-23,25H,2-8,11-16,18-19,21H2,1H3/b10-9-/t22-,23+/m0/s1
InChIKeyIYAWOXPGUDCGDL-SNZQZGEVSA-N
MW378.60 g/mol
LogP6.65
Rot. Bonds17

About (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one

(2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one (PubChem CID 122178736) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one
PubChem CID122178736
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name(2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one
SMILESCCCCCCCC/C=C\CCCCCCC[C@H](O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(25)21-23-19-17-20-24(26)27-23/h9-10,17,20,22-23,25H,2-8,11-16,18-19,21H2,1H3/b10-9-/t22-,23+/m0/s1
InChIKeyIYAWOXPGUDCGDL-SNZQZGEVSA-N
XLogP6.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Massoia lactone
CID 39914
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
Pironetin
CID 6438891
13,17-epoxy-16-hydroxy macrolactin A
CID 56649386
Macrolactin A
CID 10949443
Caprylyl Eicosenoate
CID 76962468
18,19-epoxy macrolactin A
CID 56649368
Ncgc00385962-01_C16H24O3_
CID 75528938
Cryptocaryol B
CID 54582082
Cryptocaryol E
CID 54585961
Cryptocaryol A
CID 54586900

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one (CID 122178736) is (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one is CCCCCCCC/C=C\CCCCCCC[C@H](O)C[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one?
The InChIKey is IYAWOXPGUDCGDL-SNZQZGEVSA-N. The full InChI is InChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(25)21-23-19-17-20-24(26)27-23/h9-10,17,20,22-23,25H,2-8,11-16,18-19,21H2,1H3/b10-9-/t22-,23+/m0/s1.
What are the key properties of (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one?
(2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one has a molecular weight of 378.60 g/mol, XLogP of 6.65, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z,2S)-2-hydroxynonadec-10-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 122178736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).