(3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione

C18H22O5 — CID 135011429

IUPAC(3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione
SMILESC/C=C(C)/C=C(C)/C=C/C=C(C)/C(O)=C1/C(=O)O[C@H](CO)C1=O
InChIInChI=1S/C18H22O5/c1-5-11(2)9-12(3)7-6-8-13(4)16(20)15-17(21)14(10-19)23-18(15)22/h5-9,14,19-20H,10H2,1-4H3/b7-6+,11-5+,12-9+,13-8+,16-15-/t14-/m1/s1
InChIKeyHUVZUHZQSDRIBH-QXMBQXOCSA-N
MW318.37 g/mol
LogP2.70
Rot. Bonds5

About (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione

(3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione (PubChem CID 135011429) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione.

Molecular Properties

Compound Name(3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione
PubChem CID135011429
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name(3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione
SMILESC/C=C(C)/C=C(C)/C=C/C=C(C)/C(O)=C1/C(=O)O[C@H](CO)C1=O
InChIInChI=1S/C18H22O5/c1-5-11(2)9-12(3)7-6-8-13(4)16(20)15-17(21)14(10-19)23-18(15)22/h5-9,14,19-20H,10H2,1-4H3/b7-6+,11-5+,12-9+,13-8+,16-15-/t14-/m1/s1
InChIKeyHUVZUHZQSDRIBH-QXMBQXOCSA-N
XLogP2.70
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gregatin G1
CID 156581011
Gregatin G2
CID 156581012
Dehydronostovalerolactone
CID 168010402
2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid
CID 56683161
tert-butyl (E,4Z)-4-hydroxy-4-[(5R)-5-methyl-2,4-dioxooxolan-3-ylidene]but-2-enoate
CID 134861162
(3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione
CID 135038958
Trihazone B
CID 169492231
5-[(1E,3e)-1,3-hexadienyl]-3-(2-hydroxy-1-oxobutyl)-4-methoxy-5-methyl-2(5h)-furanone
CID 90473370
[(1S,5R)-5-acetyloxy-2-[(E)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl] acetate
CID 22804446
[(1S,5R)-5-acetyloxy-2-(3-hydroxyoct-1-enyl)-4-oxocyclopent-2-en-1-yl] acetate
CID 57184602
methyl 2-[(2Z)-2-[(3Z,5E,8S,9S,11Z,14S)-8,9-dihydroxy-3-(1-hydroxyprop-2-enylidene)-14-methyl-2,10-dioxo-1-oxacyclotetradeca-5,11-dien-4-ylidene]ethoxy]acetate
CID 143015464
5-[(1E,3E)-hexa-1,3-dienyl]-2-(2-methoxypropyl)-4-oxofuran-3-carboxylic acid
CID 166126806

Frequently Asked Questions

What is the IUPAC name of (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione?
The IUPAC name of (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione (CID 135011429) is (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione.
What is the SMILES notation for (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione?
The canonical SMILES for (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione is C/C=C(C)/C=C(C)/C=C/C=C(C)/C(O)=C1/C(=O)O[C@H](CO)C1=O.
What is the InChIKey of (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione?
The InChIKey is HUVZUHZQSDRIBH-QXMBQXOCSA-N. The full InChI is InChI=1S/C18H22O5/c1-5-11(2)9-12(3)7-6-8-13(4)16(20)15-17(21)14(10-19)23-18(15)22/h5-9,14,19-20H,10H2,1-4H3/b7-6+,11-5+,12-9+,13-8+,16-15-/t14-/m1/s1.
What are the key properties of (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione?
(3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione is sourced from PubChem (CID 135011429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).