(4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol

C12H20O2 — CID 11127195

IUPAC(4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol
SMILESC[C@]1(O)CCC[C@@]12CCC=C[C@@H]2CO
InChIInChI=1S/C12H20O2/c1-11(14)6-4-8-12(11)7-3-2-5-10(12)9-13/h2,5,10,13-14H,3-4,6-9H2,1H3/t10-,11+,12-/m1/s1
InChIKeyLPLMISSUOJZSES-GRYCIOLGSA-N
MW196.29 g/mol
LogP1.87
Rot. Bonds1

About (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol

(4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol (PubChem CID 11127195) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol.

Molecular Properties

Compound Name(4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol
PubChem CID11127195
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol
SMILESC[C@]1(O)CCC[C@@]12CCC=C[C@@H]2CO
InChIInChI=1S/C12H20O2/c1-11(14)6-4-8-12(11)7-3-2-5-10(12)9-13/h2,5,10,13-14H,3-4,6-9H2,1H3/t10-,11+,12-/m1/s1
InChIKeyLPLMISSUOJZSES-GRYCIOLGSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol?
The IUPAC name of (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol (CID 11127195) is (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol.
What is the SMILES notation for (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol?
The canonical SMILES for (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol is C[C@]1(O)CCC[C@@]12CCC=C[C@@H]2CO.
What is the InChIKey of (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol?
The InChIKey is LPLMISSUOJZSES-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(14)6-4-8-12(11)7-3-2-5-10(12)9-13/h2,5,10,13-14H,3-4,6-9H2,1H3/t10-,11+,12-/m1/s1.
What are the key properties of (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol?
(4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol has a molecular weight of 196.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol is sourced from PubChem (CID 11127195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).