[(7S)-spiro[2.5]octan-7-yl]methanol

C9H16O — CID 163342255

IUPAC[(7S)-spiro[2.5]octan-7-yl]methanol
SMILESOC[C@H]1CCCC2(CC2)C1
InChIInChI=1S/C9H16O/c10-7-8-2-1-3-9(6-8)4-5-9/h8,10H,1-7H2/t8-/m0/s1
InChIKeyKNJCNJRKRPUJKJ-QMMMGPOBSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds1

About [(7S)-spiro[2.5]octan-7-yl]methanol

[(7S)-spiro[2.5]octan-7-yl]methanol (PubChem CID 163342255) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(7S)-spiro[2.5]octan-7-yl]methanol.

Molecular Properties

Compound Name[(7S)-spiro[2.5]octan-7-yl]methanol
PubChem CID163342255
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(7S)-spiro[2.5]octan-7-yl]methanol
SMILESOC[C@H]1CCCC2(CC2)C1
InChIInChI=1S/C9H16O/c10-7-8-2-1-3-9(6-8)4-5-9/h8,10H,1-7H2/t8-/m0/s1
InChIKeyKNJCNJRKRPUJKJ-QMMMGPOBSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(7S)-spiro[2.5]octan-7-yl]methanol?
The IUPAC name of [(7S)-spiro[2.5]octan-7-yl]methanol (CID 163342255) is [(7S)-spiro[2.5]octan-7-yl]methanol.
What is the SMILES notation for [(7S)-spiro[2.5]octan-7-yl]methanol?
The canonical SMILES for [(7S)-spiro[2.5]octan-7-yl]methanol is OC[C@H]1CCCC2(CC2)C1.
What is the InChIKey of [(7S)-spiro[2.5]octan-7-yl]methanol?
The InChIKey is KNJCNJRKRPUJKJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O/c10-7-8-2-1-3-9(6-8)4-5-9/h8,10H,1-7H2/t8-/m0/s1.
What are the key properties of [(7S)-spiro[2.5]octan-7-yl]methanol?
[(7S)-spiro[2.5]octan-7-yl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-spiro[2.5]octan-7-yl]methanol is sourced from PubChem (CID 163342255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).