(3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol

C15H26O2 — CID 102057385

IUPAC(3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)[C@H](CO)C[C@H](O)C[C@H]2C
InChIInChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+/m1/s1
InChIKeyLOLOOEMMLLRJKC-QMIVOQANSA-N
MW238.37 g/mol
LogP2.75
Rot. Bonds2

About (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol

(3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol (PubChem CID 102057385) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name(3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol
PubChem CID102057385
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)[C@H](CO)C[C@H](O)C[C@H]2C
InChIInChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+/m1/s1
InChIKeyLOLOOEMMLLRJKC-QMIVOQANSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.75
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 (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol?
The IUPAC name of (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol (CID 102057385) is (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol.
What is the SMILES notation for (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol?
The canonical SMILES for (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol is C=C(C)[C@@H]1CC[C@@]2(C1)[C@H](CO)C[C@H](O)C[C@H]2C.
What is the InChIKey of (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol?
The InChIKey is LOLOOEMMLLRJKC-QMIVOQANSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+/m1/s1.
What are the key properties of (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol?
(3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol has a molecular weight of 238.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol is sourced from PubChem (CID 102057385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).