(4S)-spiro[4.4]nonan-4-ol

C9H16O — CID 12672537

IUPAC(4S)-spiro[4.4]nonan-4-ol
SMILESO[C@H]1CCCC12CCCC2
InChIInChI=1S/C9H16O/c10-8-4-3-7-9(8)5-1-2-6-9/h8,10H,1-7H2/t8-/m0/s1
InChIKeyHQZIAZCARGNEME-QMMMGPOBSA-N
MW140.23 g/mol
LogP2.09
Rot. Bonds

About (4S)-spiro[4.4]nonan-4-ol

(4S)-spiro[4.4]nonan-4-ol (PubChem CID 12672537) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4S)-spiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name(4S)-spiro[4.4]nonan-4-ol
PubChem CID12672537
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4S)-spiro[4.4]nonan-4-ol
SMILESO[C@H]1CCCC12CCCC2
InChIInChI=1S/C9H16O/c10-8-4-3-7-9(8)5-1-2-6-9/h8,10H,1-7H2/t8-/m0/s1
InChIKeyHQZIAZCARGNEME-QMMMGPOBSA-N
XLogP2.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-spiro[4.4]nonan-4-ol?
The IUPAC name of (4S)-spiro[4.4]nonan-4-ol (CID 12672537) is (4S)-spiro[4.4]nonan-4-ol.
What is the SMILES notation for (4S)-spiro[4.4]nonan-4-ol?
The canonical SMILES for (4S)-spiro[4.4]nonan-4-ol is O[C@H]1CCCC12CCCC2.
What is the InChIKey of (4S)-spiro[4.4]nonan-4-ol?
The InChIKey is HQZIAZCARGNEME-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O/c10-8-4-3-7-9(8)5-1-2-6-9/h8,10H,1-7H2/t8-/m0/s1.
What are the key properties of (4S)-spiro[4.4]nonan-4-ol?
(4S)-spiro[4.4]nonan-4-ol has a molecular weight of 140.23 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-spiro[4.4]nonan-4-ol is sourced from PubChem (CID 12672537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).