(2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one

C16H14O3 — CID 11821130

IUPAC(2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one
SMILESC[C@@H]1C=C(C/C=C\CC#CC#CC#CCO)C(=O)O1
InChIInChI=1S/C16H14O3/c1-14-13-15(16(18)19-14)11-9-7-5-3-2-4-6-8-10-12-17/h7,9,13-14,17H,5,11-12H2,1H3/b9-7-/t14-/m1/s1
InChIKeyZGKQPJRZFFMQMR-IUCKJTJTSA-N
MW254.28 g/mol
LogP1.20
Rot. Bonds3

About (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one

(2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one (PubChem CID 11821130) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one
PubChem CID11821130
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one
SMILESC[C@@H]1C=C(C/C=C\CC#CC#CC#CCO)C(=O)O1
InChIInChI=1S/C16H14O3/c1-14-13-15(16(18)19-14)11-9-7-5-3-2-4-6-8-10-12-17/h7,9,13-14,17H,5,11-12H2,1H3/b9-7-/t14-/m1/s1
InChIKeyZGKQPJRZFFMQMR-IUCKJTJTSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one with MolForge

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Related Compounds

(2S)-2-methyl-4-(6-methylhepta-1,5-dien-3-yn-2-yl)-2H-furan-5-one
CID 10081567
(5s)-3-[(3e,5s)-5-Hydroxy-3-hepten-6-yn-1-yl]-5-methyl-2(5h)-furanone
CID 10352939
(2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one
CID 11097678
Sibiscolacton
CID 102170498
4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one
CID 163055837
2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
CID 14200711
2,4-diethyl-2H-furan-5-one
CID 68023935
2-butyl-3-(3-hydroxyprop-1-ynyl)-2H-furan-5-one
CID 11074276
(2Z)-2-(2-oxo-2-prop-2-enoxyethylidene)hex-4-ynoic acid
CID 88259493
Ethyl 3-hydroxycyclohexa-1,4-diene-1-carboxylate
CID 141296475
Prop-2-enyl 6-hydroxy-2-methylhept-2-enoate
CID 173239846
5-Prop-2-enoxycarbonylocta-4,7-dien-2-ynoic acid
CID 173623344

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one (CID 11821130) is (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one is C[C@@H]1C=C(C/C=C\CC#CC#CC#CCO)C(=O)O1.
What is the InChIKey of (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one?
The InChIKey is ZGKQPJRZFFMQMR-IUCKJTJTSA-N. The full InChI is InChI=1S/C16H14O3/c1-14-13-15(16(18)19-14)11-9-7-5-3-2-4-6-8-10-12-17/h7,9,13-14,17H,5,11-12H2,1H3/b9-7-/t14-/m1/s1.
What are the key properties of (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one?
(2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one has a molecular weight of 254.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11821130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).