(1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol

C15H26O2 — CID 10977512

IUPAC(1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol
SMILESCC1=CC[C@]2([C@H](C)CC[C@@H]2C(C)(C)O)[C@@H](O)C1
InChIInChI=1S/C15H26O2/c1-10-7-8-15(13(16)9-10)11(2)5-6-12(15)14(3,4)17/h7,11-13,16-17H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChIKeyYXEFUIZRVBDTSS-GUIRCDHDSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds1

About (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol

(1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol (PubChem CID 10977512) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol.

Molecular Properties

Compound Name(1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol
PubChem CID10977512
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol
SMILESCC1=CC[C@]2([C@H](C)CC[C@@H]2C(C)(C)O)[C@@H](O)C1
InChIInChI=1S/C15H26O2/c1-10-7-8-15(13(16)9-10)11(2)5-6-12(15)14(3,4)17/h7,11-13,16-17H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChIKeyYXEFUIZRVBDTSS-GUIRCDHDSA-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 (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol?
The IUPAC name of (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol (CID 10977512) is (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol.
What is the SMILES notation for (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol?
The canonical SMILES for (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol is CC1=CC[C@]2([C@H](C)CC[C@@H]2C(C)(C)O)[C@@H](O)C1.
What is the InChIKey of (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol?
The InChIKey is YXEFUIZRVBDTSS-GUIRCDHDSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-7-8-15(13(16)9-10)11(2)5-6-12(15)14(3,4)17/h7,11-13,16-17H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m1/s1.
What are the key properties of (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol?
(1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-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 (1R,4S,5R,10S)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-7-en-10-ol is sourced from PubChem (CID 10977512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).