(2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one

C19H24O2 — CID 162888365

IUPAC(2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
SMILESC[C@H]1C[C@@H]1C=CC=CCCC=CC=C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C19H24O2/c1-16-15-17(16)11-8-6-4-2-3-5-7-9-12-18-13-10-14-19(20)21-18/h4-12,14,16-18H,2-3,13,15H2,1H3/t16-,17-,18+/m0/s1
InChIKeyDUZRSWWIBKKPQI-OKZBNKHCSA-N
MW284.40 g/mol
LogP4.52
Rot. Bonds7

About (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one

(2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one (PubChem CID 162888365) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
PubChem CID162888365
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
SMILESC[C@H]1C[C@@H]1C=CC=CCCC=CC=C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C19H24O2/c1-16-15-17(16)11-8-6-4-2-3-5-7-9-12-18-13-10-14-19(20)21-18/h4-12,14,16-18H,2-3,13,15H2,1H3/t16-,17-,18+/m0/s1
InChIKeyDUZRSWWIBKKPQI-OKZBNKHCSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one with MolForge

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Related Compounds

2-[(1E,3Z,6Z,9Z)-pentadeca-1,3,6,9-tetraenyl]-2,3-dihydropyran-6-one
CID 10470104
(2S)-2-[(1E,3E)-5-oxohepta-1,3-dienyl]-2,3-dihydropyran-6-one
CID 11435683
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
CID 91990026
(2R)-2-[(3S)-3-hydroxyhept-1-enyl]-2,3-dihydropyran-6-one
CID 177482126
(4R,5S)-4-[(1E,3E)-hepta-1,3-dienyl]-5-methyloxolan-2-one
CID 131873050
(2S)-2-(methoxymethoxy)-2-methyl-4-[(2R)-6-oxo-2,3-dihydropyran-2-yl]but-3-enal
CID 177426668
(2R)-2-(methoxymethoxy)-2-methyl-4-[(2R)-6-oxo-2,3-dihydropyran-2-yl]but-3-enal
CID 177396368
(E,2S)-2-(methoxymethoxy)-2-methyl-4-[(2R)-6-oxo-2,3-dihydropyran-2-yl]but-3-enal
CID 101383051
(2R)-2-[(1E,3S,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyltrideca-1,7,9,11-tetraenyl]-2,3-dihydropyran-6-one
CID 87107862
(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hepta-4,6-dienal
CID 53496487

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one (CID 162888365) is (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one is C[C@H]1C[C@@H]1C=CC=CCCC=CC=C[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one?
The InChIKey is DUZRSWWIBKKPQI-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H24O2/c1-16-15-17(16)11-8-6-4-2-3-5-7-9-12-18-13-10-14-19(20)21-18/h4-12,14,16-18H,2-3,13,15H2,1H3/t16-,17-,18+/m0/s1.
What are the key properties of (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one?
(2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one has a molecular weight of 284.40 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 162888365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).