spiro[4.5]decane-4,9-diol

C10H18O2 — CID 130130673

IUPACspiro[4.5]decane-4,9-diol
SMILESOC1CCCC2(CCCC2O)C1
InChIInChI=1S/C10H18O2/c11-8-3-1-5-10(7-8)6-2-4-9(10)12/h8-9,11-12H,1-7H2
InChIKeyXNSALDYXTWFDFL-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.45
Rot. Bonds

About spiro[4.5]decane-4,9-diol

spiro[4.5]decane-4,9-diol (PubChem CID 130130673) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is spiro[4.5]decane-4,9-diol.

Molecular Properties

Compound Namespiro[4.5]decane-4,9-diol
PubChem CID130130673
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namespiro[4.5]decane-4,9-diol
SMILESOC1CCCC2(CCCC2O)C1
InChIInChI=1S/C10H18O2/c11-8-3-1-5-10(7-8)6-2-4-9(10)12/h8-9,11-12H,1-7H2
InChIKeyXNSALDYXTWFDFL-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
8-Oxaspiro[4.5]decan-1-ol
CID 91663004
Spiro(4.5)decan-1-ol
CID 258614
1-[1-(Hydroxymethyl)cyclohexyl]propan-2-ol
CID 66909310
8,8-Difluorospiro[4.5]decane-1,4-diol
CID 141269140
3-(3,3-Dimethylbutyl)cyclohexan-1-ol
CID 546041
3-(Hydroxymethyl)-3,5,5-trimethylcyclohexan-1-ol
CID 20440895
Spiro[4.5]decane-1,4,9-triol
CID 141580213
1-[1-(2-Hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol
CID 15707233
1,3-Cyclopentanediol, 2-methyl-2-propyl-
CID 130143502
(1R)-1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol
CID 134854199
(4S,5R)-spiro[4.6]undecane-4,11-diol
CID 135066896

Frequently Asked Questions

What is the IUPAC name of spiro[4.5]decane-4,9-diol?
The IUPAC name of spiro[4.5]decane-4,9-diol (CID 130130673) is spiro[4.5]decane-4,9-diol.
What is the SMILES notation for spiro[4.5]decane-4,9-diol?
The canonical SMILES for spiro[4.5]decane-4,9-diol is OC1CCCC2(CCCC2O)C1.
What is the InChIKey of spiro[4.5]decane-4,9-diol?
The InChIKey is XNSALDYXTWFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-8-3-1-5-10(7-8)6-2-4-9(10)12/h8-9,11-12H,1-7H2.
What are the key properties of spiro[4.5]decane-4,9-diol?
spiro[4.5]decane-4,9-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-4,9-diol is sourced from PubChem (CID 130130673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).