(1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol

C15H26O2 — CID 146682793

IUPAC(1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol
SMILESCC1=CC[C@]2(CC1)[C@H](C)[C@H](O)C[C@H]2C(C)(C)O
InChIInChI=1S/C15H26O2/c1-10-5-7-15(8-6-10)11(2)12(16)9-13(15)14(3,4)17/h5,11-13,16-17H,6-9H2,1-4H3/t11-,12-,13+,15+/m1/s1
InChIKeyDAAXYWYGVVILBO-CXTNEJHOSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds1

About (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol

(1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol (PubChem CID 146682793) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol
PubChem CID146682793
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol
SMILESCC1=CC[C@]2(CC1)[C@H](C)[C@H](O)C[C@H]2C(C)(C)O
InChIInChI=1S/C15H26O2/c1-10-5-7-15(8-6-10)11(2)12(16)9-13(15)14(3,4)17/h5,11-13,16-17H,6-9H2,1-4H3/t11-,12-,13+,15+/m1/s1
InChIKeyDAAXYWYGVVILBO-CXTNEJHOSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
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 (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol?
The IUPAC name of (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol (CID 146682793) is (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol.
What is the SMILES notation for (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol?
The canonical SMILES for (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol is CC1=CC[C@]2(CC1)[C@H](C)[C@H](O)C[C@H]2C(C)(C)O.
What is the InChIKey of (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol?
The InChIKey is DAAXYWYGVVILBO-CXTNEJHOSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-7-15(8-6-10)11(2)12(16)9-13(15)14(3,4)17/h5,11-13,16-17H,6-9H2,1-4H3/t11-,12-,13+,15+/m1/s1.
What are the key properties of (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol?
(1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol is sourced from PubChem (CID 146682793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).