8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol

C11H18O3 — CID 171798128

IUPAC8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol
SMILESOCC1=CCC2(CC1)C(O)CCC2O
InChIInChI=1S/C11H18O3/c12-7-8-3-5-11(6-4-8)9(13)1-2-10(11)14/h3,9-10,12-14H,1-2,4-7H2
InChIKeyCTZLPEADPUYSPM-UHFFFAOYSA-N
MW198.26 g/mol
LogP0.59
Rot. Bonds1

About 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol

8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol (PubChem CID 171798128) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol.

Molecular Properties

Compound Name8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol
PubChem CID171798128
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol
SMILESOCC1=CCC2(CC1)C(O)CCC2O
InChIInChI=1S/C11H18O3/c12-7-8-3-5-11(6-4-8)9(13)1-2-10(11)14/h3,9-10,12-14H,1-2,4-7H2
InChIKeyCTZLPEADPUYSPM-UHFFFAOYSA-N
XLogP0.59
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trichoacorenol B
CID 139591328
(1S,4R)-1-[(3S)-3-hydroxybutyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 162990853
(1S,4S)-1-[(3R)-3-hydroxybutyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 162990854
(1S,4S,5S,9R)-8-(hydroxymethyl)-4-[(2R)-1-hydroxypropan-2-yl]-1-methylspiro[4.5]dec-7-en-9-ol
CID 163015978
(1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol
CID 10931800
1,1,4,8-Tetramethylcycloundec-3-ene-2,5,8-triol
CID 129881735
(5E)-5-ethylidene-2,2-dimethylcyclopentan-1-ol
CID 10374541
(5S,7aS)-7a-prop-2-enyl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 11665491
1-(3-Hydroxypropyl)-2,6,6-trimethylcyclohex-2-en-1-ol
CID 14086328
1-(3-Hydroxybutyl)-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 86145259
(1S,4R)-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 10877364
(1R,4S)-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 10986487

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol?
The IUPAC name of 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol (CID 171798128) is 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol.
What is the SMILES notation for 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol?
The canonical SMILES for 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol is OCC1=CCC2(CC1)C(O)CCC2O.
What is the InChIKey of 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol?
The InChIKey is CTZLPEADPUYSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-7-8-3-5-11(6-4-8)9(13)1-2-10(11)14/h3,9-10,12-14H,1-2,4-7H2.
What are the key properties of 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol?
8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol has a molecular weight of 198.26 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol is sourced from PubChem (CID 171798128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).