(2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane

C20H36O — CID 59933836

IUPAC(2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane
SMILESCC(C)=CCC[C@@]1(C)O[C@]12CC[C@](C)(C(C)C)[C@H]2C(C)C
InChIInChI=1S/C20H36O/c1-14(2)10-9-11-19(8)20(21-19)13-12-18(7,16(5)6)17(20)15(3)4/h10,15-17H,9,11-13H2,1-8H3/t17-,18-,19-,20+/m1/s1
InChIKeyWCQOOFHGINBHFX-WTGUMLROSA-N
MW292.51 g/mol
LogP5.99
Rot. Bonds5

About (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane

(2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane (PubChem CID 59933836) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane
PubChem CID59933836
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane
SMILESCC(C)=CCC[C@@]1(C)O[C@]12CC[C@](C)(C(C)C)[C@H]2C(C)C
InChIInChI=1S/C20H36O/c1-14(2)10-9-11-19(8)20(21-19)13-12-18(7,16(5)6)17(20)15(3)4/h10,15-17H,9,11-13H2,1-8H3/t17-,18-,19-,20+/m1/s1
InChIKeyWCQOOFHGINBHFX-WTGUMLROSA-N
XLogP5.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane?
The IUPAC name of (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane (CID 59933836) is (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane.
What is the SMILES notation for (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane?
The canonical SMILES for (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane is CC(C)=CCC[C@@]1(C)O[C@]12CC[C@](C)(C(C)C)[C@H]2C(C)C.
What is the InChIKey of (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane?
The InChIKey is WCQOOFHGINBHFX-WTGUMLROSA-N. The full InChI is InChI=1S/C20H36O/c1-14(2)10-9-11-19(8)20(21-19)13-12-18(7,16(5)6)17(20)15(3)4/h10,15-17H,9,11-13H2,1-8H3/t17-,18-,19-,20+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane?
(2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane has a molecular weight of 292.51 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,5-dimethyl-2-(4-methylpent-3-enyl)-4,5-di(propan-2-yl)-1-oxaspiro[2.4]heptane is sourced from PubChem (CID 59933836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).