[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol

C9H16O3 — CID 13363042

IUPAC[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
SMILESOC[C@@H]1CC[C@]2(CCCCO2)O1
InChIInChI=1S/C9H16O3/c10-7-8-3-5-9(12-8)4-1-2-6-11-9/h8,10H,1-7H2/t8-,9-/m0/s1
InChIKeyIFLBNNFVGHJPRK-IUCAKERBSA-N
MW172.22 g/mol
LogP1.05
Rot. Bonds1

About [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol

[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol (PubChem CID 13363042) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
PubChem CID13363042
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
SMILESOC[C@@H]1CC[C@]2(CCCCO2)O1
InChIInChI=1S/C9H16O3/c10-7-8-3-5-9(12-8)4-1-2-6-11-9/h8,10H,1-7H2/t8-,9-/m0/s1
InChIKeyIFLBNNFVGHJPRK-IUCAKERBSA-N
XLogP1.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol?
The IUPAC name of [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol (CID 13363042) is [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol is OC[C@@H]1CC[C@]2(CCCCO2)O1.
What is the InChIKey of [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol?
The InChIKey is IFLBNNFVGHJPRK-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O3/c10-7-8-3-5-9(12-8)4-1-2-6-11-9/h8,10H,1-7H2/t8-,9-/m0/s1.
What are the key properties of [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol?
[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol has a molecular weight of 172.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol is sourced from PubChem (CID 13363042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).