2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol

C15H28O — CID 44559306

IUPAC2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol
SMILESCC1CCC[C@H](C)C12CC[C@@H](C(C)(C)O)C2
InChIInChI=1S/C15H28O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h11-13,16H,5-10H2,1-4H3/t11-,12?,13+,15?/m0/s1
InChIKeyAALAEGJKWSYLOG-OYNVLQORSA-N
MW224.39 g/mol
LogP4.00
Rot. Bonds1

About 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol

2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol (PubChem CID 44559306) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol
PubChem CID44559306
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol
SMILESCC1CCC[C@H](C)C12CC[C@@H](C(C)(C)O)C2
InChIInChI=1S/C15H28O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h11-13,16H,5-10H2,1-4H3/t11-,12?,13+,15?/m0/s1
InChIKeyAALAEGJKWSYLOG-OYNVLQORSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol?
The IUPAC name of 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol (CID 44559306) is 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol is CC1CCC[C@H](C)C12CC[C@@H](C(C)(C)O)C2.
What is the InChIKey of 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol?
The InChIKey is AALAEGJKWSYLOG-OYNVLQORSA-N. The full InChI is InChI=1S/C15H28O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h11-13,16H,5-10H2,1-4H3/t11-,12?,13+,15?/m0/s1.
What are the key properties of 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol?
2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,10S)-6,10-dimethylspiro[4.5]decan-3-yl]propan-2-ol is sourced from PubChem (CID 44559306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).