(3S)-non-1-en-3-ol

C9H18O — CID 7021340

IUPAC(3S)-non-1-en-3-ol
SMILESC=C[C@@H](O)CCCCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3/t9-/m1/s1
InChIKeyDWUPJMHAPOQKGJ-SECBINFHSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds6

About (3S)-non-1-en-3-ol

(3S)-non-1-en-3-ol (PubChem CID 7021340) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3S)-non-1-en-3-ol.

Molecular Properties

Compound Name(3S)-non-1-en-3-ol
PubChem CID7021340
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3S)-non-1-en-3-ol
SMILESC=C[C@@H](O)CCCCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3/t9-/m1/s1
InChIKeyDWUPJMHAPOQKGJ-SECBINFHSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-non-1-en-3-ol?
The IUPAC name of (3S)-non-1-en-3-ol (CID 7021340) is (3S)-non-1-en-3-ol.
What is the SMILES notation for (3S)-non-1-en-3-ol?
The canonical SMILES for (3S)-non-1-en-3-ol is C=C[C@@H](O)CCCCCC.
What is the InChIKey of (3S)-non-1-en-3-ol?
The InChIKey is DWUPJMHAPOQKGJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3/t9-/m1/s1.
What are the key properties of (3S)-non-1-en-3-ol?
(3S)-non-1-en-3-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-non-1-en-3-ol is sourced from PubChem (CID 7021340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).