(2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol

C14H22O2 — CID 146683371

IUPAC(2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol
SMILESC/C=C/[C@H]1C[C@@H](C)[C@]2(C=C[C@](C)(O)CC2)O1
InChIInChI=1S/C14H22O2/c1-4-5-12-10-11(2)14(16-12)8-6-13(3,15)7-9-14/h4-6,8,11-12,15H,7,9-10H2,1-3H3/b5-4+/t11-,12+,13+,14-/m1/s1
InChIKeyWRZUFIHOTBWJST-WAIKKHEZSA-N
MW222.33 g/mol
LogP2.83
Rot. Bonds1

About (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol

(2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol (PubChem CID 146683371) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name(2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol
PubChem CID146683371
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol
SMILESC/C=C/[C@H]1C[C@@H](C)[C@]2(C=C[C@](C)(O)CC2)O1
InChIInChI=1S/C14H22O2/c1-4-5-12-10-11(2)14(16-12)8-6-13(3,15)7-9-14/h4-6,8,11-12,15H,7,9-10H2,1-3H3/b5-4+/t11-,12+,13+,14-/m1/s1
InChIKeyWRZUFIHOTBWJST-WAIKKHEZSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol (CID 146683371) is (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol is C/C=C/[C@H]1C[C@@H](C)[C@]2(C=C[C@](C)(O)CC2)O1.
What is the InChIKey of (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is WRZUFIHOTBWJST-WAIKKHEZSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-12-10-11(2)14(16-12)8-6-13(3,15)7-9-14/h4-6,8,11-12,15H,7,9-10H2,1-3H3/b5-4+/t11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol?
(2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 222.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,8R)-4,8-dimethyl-2-[(E)-prop-1-enyl]-1-oxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 146683371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).