(4S)-1-oxaspiro[4.5]decan-4-ol

C9H16O2 — CID 134985958

IUPAC(4S)-1-oxaspiro[4.5]decan-4-ol
SMILESO[C@H]1CCOC12CCCCC2
InChIInChI=1S/C9H16O2/c10-8-4-7-11-9(8)5-2-1-3-6-9/h8,10H,1-7H2/t8-/m0/s1
InChIKeyLRCJENKPAAYSIP-QMMMGPOBSA-N
MW156.22 g/mol
LogP1.47
Rot. Bonds

About (4S)-1-oxaspiro[4.5]decan-4-ol

(4S)-1-oxaspiro[4.5]decan-4-ol (PubChem CID 134985958) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4S)-1-oxaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4S)-1-oxaspiro[4.5]decan-4-ol
PubChem CID134985958
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4S)-1-oxaspiro[4.5]decan-4-ol
SMILESO[C@H]1CCOC12CCCCC2
InChIInChI=1S/C9H16O2/c10-8-4-7-11-9(8)5-2-1-3-6-9/h8,10H,1-7H2/t8-/m0/s1
InChIKeyLRCJENKPAAYSIP-QMMMGPOBSA-N
XLogP1.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxaspiro[5.5]undecan-11-ol
CID 69392634
8-methyl-1-oxaspiro[4.5]decan-4-ol
CID 165460005
8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-4-ol
CID 165460008
2-methyl-5-oxa-2-azaspiro[3.4]octan-8-ol
CID 146666678
6-oxaspiro[4.5]decan-10-amine
CID 121318257
2-oxaspiro[5.6]dodecan-5-ol
CID 82406501
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97144388
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
7-oxaspiro[5.13]nonadecane-19-sulfonic acid
CID 59513274
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride
CID 154897763

Frequently Asked Questions

What is the IUPAC name of (4S)-1-oxaspiro[4.5]decan-4-ol?
The IUPAC name of (4S)-1-oxaspiro[4.5]decan-4-ol (CID 134985958) is (4S)-1-oxaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4S)-1-oxaspiro[4.5]decan-4-ol?
The canonical SMILES for (4S)-1-oxaspiro[4.5]decan-4-ol is O[C@H]1CCOC12CCCCC2.
What is the InChIKey of (4S)-1-oxaspiro[4.5]decan-4-ol?
The InChIKey is LRCJENKPAAYSIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-4-7-11-9(8)5-2-1-3-6-9/h8,10H,1-7H2/t8-/m0/s1.
What are the key properties of (4S)-1-oxaspiro[4.5]decan-4-ol?
(4S)-1-oxaspiro[4.5]decan-4-ol has a molecular weight of 156.22 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-oxaspiro[4.5]decan-4-ol is sourced from PubChem (CID 134985958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).