2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol

C15H26O2 — CID 170990151

IUPAC2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol
SMILESCC1=CC[C@]2(CC1)O[C@H](C(C)(C)O)CC[C@H]2C
InChIInChI=1S/C15H26O2/c1-11-7-9-15(10-8-11)12(2)5-6-13(17-15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15-/m1/s1
InChIKeyUXRAVTFBHMHEIX-VNHYZAJKSA-N
MW238.37 g/mol
LogP3.44
Rot. Bonds1

About 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol

2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol (PubChem CID 170990151) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol
PubChem CID170990151
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol
SMILESCC1=CC[C@]2(CC1)O[C@H](C(C)(C)O)CC[C@H]2C
InChIInChI=1S/C15H26O2/c1-11-7-9-15(10-8-11)12(2)5-6-13(17-15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15-/m1/s1
InChIKeyUXRAVTFBHMHEIX-VNHYZAJKSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
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 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol (CID 170990151) is 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol is CC1=CC[C@]2(CC1)O[C@H](C(C)(C)O)CC[C@H]2C.
What is the InChIKey of 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol?
The InChIKey is UXRAVTFBHMHEIX-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-7-9-15(10-8-11)12(2)5-6-13(17-15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15-/m1/s1.
What are the key properties of 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol?
2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R,6S)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-yl]propan-2-ol is sourced from PubChem (CID 170990151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).