spiro[4.5]decane-1,4-diol

C10H18O2 — CID 141042153

IUPACspiro[4.5]decane-1,4-diol
SMILESOC1CCC(O)C12CCCCC2
InChIInChI=1S/C10H18O2/c11-8-4-5-9(12)10(8)6-2-1-3-7-10/h8-9,11-12H,1-7H2
InChIKeyQNROYLVFOGKDOP-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.45
Rot. Bonds

About spiro[4.5]decane-1,4-diol

spiro[4.5]decane-1,4-diol (PubChem CID 141042153) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is spiro[4.5]decane-1,4-diol.

Molecular Properties

Compound Namespiro[4.5]decane-1,4-diol
PubChem CID141042153
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namespiro[4.5]decane-1,4-diol
SMILESOC1CCC(O)C12CCCCC2
InChIInChI=1S/C10H18O2/c11-8-4-5-9(12)10(8)6-2-1-3-7-10/h8-9,11-12H,1-7H2
InChIKeyQNROYLVFOGKDOP-UHFFFAOYSA-N
XLogP1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro(4.5)decan-8-ol
CID 56962207
Spiro(4.4)nonane-1,6-diol
CID 3635403
Spiro(4.5)decan-1-ol
CID 258614
(4R,9S)-spiro[4.4]nonane-4,9-diol
CID 676656
1,1-Bis(3-methyl-4-hydroxymethyl)cyclohexane
CID 19424468
(4S)-spiro[4.4]nonane-4,9-diol
CID 58321007
(4R)-spiro[4.4]nonane-4,9-diol
CID 58321027
1-[1-(Hydroxymethyl)cyclohexyl]propan-2-ol
CID 66909310
8,8-Difluorospiro[4.5]decane-1,4-diol
CID 141269140
(4R,9R)-spiro[4.4]nonane-4,9-diol
CID 676655
1-[1-(2-Hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol
CID 15707233
1,3-Cyclopentanediol, 2-methyl-2-propyl-
CID 130143502

Frequently Asked Questions

What is the IUPAC name of spiro[4.5]decane-1,4-diol?
The IUPAC name of spiro[4.5]decane-1,4-diol (CID 141042153) is spiro[4.5]decane-1,4-diol.
What is the SMILES notation for spiro[4.5]decane-1,4-diol?
The canonical SMILES for spiro[4.5]decane-1,4-diol is OC1CCC(O)C12CCCCC2.
What is the InChIKey of spiro[4.5]decane-1,4-diol?
The InChIKey is QNROYLVFOGKDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-8-4-5-9(12)10(8)6-2-1-3-7-10/h8-9,11-12H,1-7H2.
What are the key properties of spiro[4.5]decane-1,4-diol?
spiro[4.5]decane-1,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]decane-1,4-diol is sourced from PubChem (CID 141042153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).