[(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol

C16H26O3 — CID 127042782

IUPAC[(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol
SMILESCOC1(OC)C=C[C@@]2(CC1)C(C(C)C)=CC[C@@H]2CO
InChIInChI=1S/C16H26O3/c1-12(2)14-6-5-13(11-17)15(14)7-9-16(18-3,19-4)10-8-15/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3/t13-,15+/m1/s1
InChIKeyZMHSZYIVEIXWKY-HIFRSBDPSA-N
MW266.38 g/mol
LogP2.91
Rot. Bonds4

About [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol

[(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol (PubChem CID 127042782) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol
PubChem CID127042782
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name[(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol
SMILESCOC1(OC)C=C[C@@]2(CC1)C(C(C)C)=CC[C@@H]2CO
InChIInChI=1S/C16H26O3/c1-12(2)14-6-5-13(11-17)15(14)7-9-16(18-3,19-4)10-8-15/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3/t13-,15+/m1/s1
InChIKeyZMHSZYIVEIXWKY-HIFRSBDPSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol?
The IUPAC name of [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol (CID 127042782) is [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol.
What is the SMILES notation for [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol?
The canonical SMILES for [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol is COC1(OC)C=C[C@@]2(CC1)C(C(C)C)=CC[C@@H]2CO.
What is the InChIKey of [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol?
The InChIKey is ZMHSZYIVEIXWKY-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H26O3/c1-12(2)14-6-5-13(11-17)15(14)7-9-16(18-3,19-4)10-8-15/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3/t13-,15+/m1/s1.
What are the key properties of [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol?
[(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol has a molecular weight of 266.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol is sourced from PubChem (CID 127042782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).