(S)-(+)-2-Nonen-4-olid

C9H14O2 — CID 10866553

IUPAC(2S)-2-pentyl-2H-furan-5-one
SMILESCCCCC[C@H]1C=CC(=O)O1
InChIInChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3/t8-/m0/s1
InChIKeyMXZSZHJBUODOJK-QMMMGPOBSA-N
MW154.21 g/mol
LogP2.60
Rot. Bonds4

About (S)-(+)-2-Nonen-4-olid

(S)-(+)-2-Nonen-4-olid (PubChem CID 10866553) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-pentyl-2H-furan-5-one.

Molecular Properties

Compound Name(S)-(+)-2-Nonen-4-olid
PubChem CID10866553
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-2-pentyl-2H-furan-5-one
SMILESCCCCC[C@H]1C=CC(=O)O1
InChIInChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3/t8-/m0/s1
InChIKeyMXZSZHJBUODOJK-QMMMGPOBSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity161

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (S)-(+)-2-Nonen-4-olid?
The IUPAC name of (S)-(+)-2-Nonen-4-olid (CID 10866553) is (2S)-2-pentyl-2H-furan-5-one.
What is the SMILES notation for (S)-(+)-2-Nonen-4-olid?
The canonical SMILES for (S)-(+)-2-Nonen-4-olid is CCCCC[C@H]1C=CC(=O)O1.
What is the InChIKey of (S)-(+)-2-Nonen-4-olid?
The InChIKey is MXZSZHJBUODOJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of (S)-(+)-2-Nonen-4-olid?
(S)-(+)-2-Nonen-4-olid has a molecular weight of 154.21 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(+)-2-Nonen-4-olid is sourced from PubChem (CID 10866553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).