(3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane

C16H26O2 — CID 134270799

IUPAC(3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
SMILESC=C1CC[C@]2(CO2)C(C(C)(C)OCC=C(C)C)C1
InChIInChI=1S/C16H26O2/c1-12(2)7-9-17-15(4,5)14-10-13(3)6-8-16(14)11-18-16/h7,14H,3,6,8-11H2,1-2,4-5H3/t14?,16-/m0/s1
InChIKeyMBWCCCXUJOXBIZ-WMCAAGNKSA-N
MW250.38 g/mol
LogP3.87
Rot. Bonds4

About (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane

(3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane (PubChem CID 134270799) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
PubChem CID134270799
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
SMILESC=C1CC[C@]2(CO2)C(C(C)(C)OCC=C(C)C)C1
InChIInChI=1S/C16H26O2/c1-12(2)7-9-17-15(4,5)14-10-13(3)6-8-16(14)11-18-16/h7,14H,3,6,8-11H2,1-2,4-5H3/t14?,16-/m0/s1
InChIKeyMBWCCCXUJOXBIZ-WMCAAGNKSA-N
XLogP3.87
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
CID 134270906
6-Fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
CID 144438479
(3R,4R,5S)-5-methoxy-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
CID 126591451
(3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
CID 129157331
(4R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
CID 129228543
(1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane
CID 130284633
4-[2-(3-Methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
CID 134270786
4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
CID 134270818
4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane
CID 134270887
ethyl (2Z)-2-[4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octan-6-ylidene]acetate
CID 134270897
4-[1-(3-Methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane
CID 134270911
(6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane
CID 134270920

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane?
The IUPAC name of (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane (CID 134270799) is (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane.
What is the SMILES notation for (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane?
The canonical SMILES for (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane is C=C1CC[C@]2(CO2)C(C(C)(C)OCC=C(C)C)C1.
What is the InChIKey of (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane?
The InChIKey is MBWCCCXUJOXBIZ-WMCAAGNKSA-N. The full InChI is InChI=1S/C16H26O2/c1-12(2)7-9-17-15(4,5)14-10-13(3)6-8-16(14)11-18-16/h7,14H,3,6,8-11H2,1-2,4-5H3/t14?,16-/m0/s1.
What are the key properties of (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane?
(3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane has a molecular weight of 250.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134270799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).