(5R)-5-methylnona-1,8-dien-3-one

C10H16O — CID 10582957

IUPAC(5R)-5-methylnona-1,8-dien-3-one
SMILESC=CCC[C@@H](C)CC(=O)C=C
InChIInChI=1S/C10H16O/c1-4-6-7-9(3)8-10(11)5-2/h4-5,9H,1-2,6-8H2,3H3/t9-/m1/s1
InChIKeyBLVTVIHZHGDBAB-SECBINFHSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds6

About (5R)-5-methylnona-1,8-dien-3-one

(5R)-5-methylnona-1,8-dien-3-one (PubChem CID 10582957) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (5R)-5-methylnona-1,8-dien-3-one.

Molecular Properties

Compound Name(5R)-5-methylnona-1,8-dien-3-one
PubChem CID10582957
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(5R)-5-methylnona-1,8-dien-3-one
SMILESC=CCC[C@@H](C)CC(=O)C=C
InChIInChI=1S/C10H16O/c1-4-6-7-9(3)8-10(11)5-2/h4-5,9H,1-2,6-8H2,3H3/t9-/m1/s1
InChIKeyBLVTVIHZHGDBAB-SECBINFHSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
(3S)-3-methylhept-6-enoic acid
CID 11815469
methyl 3-methylhept-6-enoate
CID 19865945
(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide
CID 161131004
5-aminohex-1-en-3-one
CID 116555878
N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide
CID 163999465
5-hydroxy-6-methylhept-1-en-3-one
CID 10606842
(3S,5R)-5-methylnon-8-en-3-ol
CID 129386423
6-(2-methoxyethoxy)-5-methylhex-1-en-3-one
CID 158126506
2-methylhex-5-enyl propanoate
CID 139914758
ethane;4-methylocta-1,7-diene
CID 144616064
(5S)-6-iodo-5-methylhex-1-ene
CID 14470371

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methylnona-1,8-dien-3-one?
The IUPAC name of (5R)-5-methylnona-1,8-dien-3-one (CID 10582957) is (5R)-5-methylnona-1,8-dien-3-one.
What is the SMILES notation for (5R)-5-methylnona-1,8-dien-3-one?
The canonical SMILES for (5R)-5-methylnona-1,8-dien-3-one is C=CCC[C@@H](C)CC(=O)C=C.
What is the InChIKey of (5R)-5-methylnona-1,8-dien-3-one?
The InChIKey is BLVTVIHZHGDBAB-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-7-9(3)8-10(11)5-2/h4-5,9H,1-2,6-8H2,3H3/t9-/m1/s1.
What are the key properties of (5R)-5-methylnona-1,8-dien-3-one?
(5R)-5-methylnona-1,8-dien-3-one has a molecular weight of 152.24 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylnona-1,8-dien-3-one is sourced from PubChem (CID 10582957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).