(2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one

C15H21ClO2 — CID 163055398

IUPAC(2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one
SMILESCC(=CCl)CC=CCCCC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C15H21ClO2/c1-13(12-16)8-5-3-2-4-6-9-14-10-7-11-15(17)18-14/h3,5,7,11-12,14H,2,4,6,8-10H2,1H3/t14-/m1/s1
InChIKeyVLBAJBDZRVUUIE-CQSZACIVSA-N
MW268.78 g/mol
LogP4.51
Rot. Bonds7

About (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one

(2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one (PubChem CID 163055398) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one
PubChem CID163055398
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name(2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one
SMILESCC(=CCl)CC=CCCCC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C15H21ClO2/c1-13(12-16)8-5-3-2-4-6-9-14-10-7-11-15(17)18-14/h3,5,7,11-12,14H,2,4,6,8-10H2,1H3/t14-/m1/s1
InChIKeyVLBAJBDZRVUUIE-CQSZACIVSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
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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Related Compounds

Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
(+-)-Massoia lactone
CID 39914
(6R)-6-Nonyl-5,6-dihydro-2H-pyran-2-one
CID 11629959
(S)-(+)-Massoialactone
CID 404821
Kimbelactone A
CID 57415163
Coibacin C
CID 102452153
Coibacin D
CID 102452154
(R)-Dodec-2-en-1,5-olide
CID 71351181
5,6-Dihydro-6-undecyl-2H-pyran-2-one
CID 10923030
6-Nonyl-5,6-dihydro-2H-pyran-2-one
CID 15825660
5-Methylidene-6-pentylpyran-2-one
CID 25187962

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one (CID 163055398) is (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one is CC(=CCl)CC=CCCCC[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one?
The InChIKey is VLBAJBDZRVUUIE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-13(12-16)8-5-3-2-4-6-9-14-10-7-11-15(17)18-14/h3,5,7,11-12,14H,2,4,6,8-10H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one?
(2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one has a molecular weight of 268.78 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9-chloro-8-methylnona-5,8-dienyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 163055398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).