[(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol

C15H24O — CID 127040907

IUPAC[(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol
SMILESCC1=CC[C@@]2(CC1)C(C(C)C)=CC[C@@H]2CO
InChIInChI=1S/C15H24O/c1-11(2)14-5-4-13(10-16)15(14)8-6-12(3)7-9-15/h5-6,11,13,16H,4,7-10H2,1-3H3/t13-,15+/m1/s1
InChIKeyKJTBZKJQCOKDKN-HIFRSBDPSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds2

About [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol

[(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol (PubChem CID 127040907) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol
PubChem CID127040907
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol
SMILESCC1=CC[C@@]2(CC1)C(C(C)C)=CC[C@@H]2CO
InChIInChI=1S/C15H24O/c1-11(2)14-5-4-13(10-16)15(14)8-6-12(3)7-9-15/h5-6,11,13,16H,4,7-10H2,1-3H3/t13-,15+/m1/s1
InChIKeyKJTBZKJQCOKDKN-HIFRSBDPSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
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 [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol?
The IUPAC name of [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol (CID 127040907) is [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol.
What is the SMILES notation for [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol?
The canonical SMILES for [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol is CC1=CC[C@@]2(CC1)C(C(C)C)=CC[C@@H]2CO.
What is the InChIKey of [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol?
The InChIKey is KJTBZKJQCOKDKN-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)14-5-4-13(10-16)15(14)8-6-12(3)7-9-15/h5-6,11,13,16H,4,7-10H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol?
[(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol is sourced from PubChem (CID 127040907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).