(1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol

C15H26O3 — CID 139591329

IUPAC(1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol
SMILESCC(C)[C@@H]1CC[C@H](C)[C@@]12C=C[C@@](O)(CO)[C@H](O)C2
InChIInChI=1S/C15H26O3/c1-10(2)12-5-4-11(3)14(12)6-7-15(18,9-16)13(17)8-14/h6-7,10-13,16-18H,4-5,8-9H2,1-3H3/t11-,12-,13+,14-,15+/m0/s1
InChIKeyFIQAIBARTVFFLO-SBJFKYEJSA-N
MW254.37 g/mol
LogP1.72
Rot. Bonds2

About (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol

(1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol (PubChem CID 139591329) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol.

Molecular Properties

Compound Name(1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol
PubChem CID139591329
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol
SMILESCC(C)[C@@H]1CC[C@H](C)[C@@]12C=C[C@@](O)(CO)[C@H](O)C2
InChIInChI=1S/C15H26O3/c1-10(2)12-5-4-11(3)14(12)6-7-15(18,9-16)13(17)8-14/h6-7,10-13,16-18H,4-5,8-9H2,1-3H3/t11-,12-,13+,14-,15+/m0/s1
InChIKeyFIQAIBARTVFFLO-SBJFKYEJSA-N
XLogP1.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol?
The IUPAC name of (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol (CID 139591329) is (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol.
What is the SMILES notation for (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol?
The canonical SMILES for (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol is CC(C)[C@@H]1CC[C@H](C)[C@@]12C=C[C@@](O)(CO)[C@H](O)C2.
What is the InChIKey of (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol?
The InChIKey is FIQAIBARTVFFLO-SBJFKYEJSA-N. The full InChI is InChI=1S/C15H26O3/c1-10(2)12-5-4-11(3)14(12)6-7-15(18,9-16)13(17)8-14/h6-7,10-13,16-18H,4-5,8-9H2,1-3H3/t11-,12-,13+,14-,15+/m0/s1.
What are the key properties of (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol?
(1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol has a molecular weight of 254.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S,7R,8R)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-ene-7,8-diol is sourced from PubChem (CID 139591329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).