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

C15H26O — CID 23642749

IUPAC2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
SMILESCC1=CC[C@]2(CC1)[C@@H](C(C)(C)O)CC[C@@H]2C
InChIInChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15+/m0/s1
InChIKeyXDVDHFJMCJWDPI-GZBFAFLISA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds1

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

2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol (PubChem CID 23642749) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
PubChem CID23642749
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
SMILESCC1=CC[C@]2(CC1)[C@@H](C(C)(C)O)CC[C@@H]2C
InChIInChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15+/m0/s1
InChIKeyXDVDHFJMCJWDPI-GZBFAFLISA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol?
The IUPAC name of 2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol (CID 23642749) is 2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol?
The canonical SMILES for 2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol is CC1=CC[C@]2(CC1)[C@@H](C(C)(C)O)CC[C@@H]2C.
What is the InChIKey of 2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol?
The InChIKey is XDVDHFJMCJWDPI-GZBFAFLISA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15+/m0/s1.
What are the key properties of 2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol?
2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol is sourced from PubChem (CID 23642749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).