1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]

C15H24O — CID 91809132

IUPAC1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]
SMILESCC(C)C12C=CC(C)(CC1)CC21CCOC1
InChIInChI=1S/C15H24O/c1-12(2)15-6-4-13(3,5-7-15)10-14(15)8-9-16-11-14/h4,6,12H,5,7-11H2,1-3H3
InChIKeyBUXNGGVQRWMVGB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.80
Rot. Bonds1

About 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]

1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] (PubChem CID 91809132) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane].

Molecular Properties

Compound Name1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]
PubChem CID91809132
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]
SMILESCC(C)C12C=CC(C)(CC1)CC21CCOC1
InChIInChI=1S/C15H24O/c1-12(2)15-6-4-13(3,5-7-15)10-14(15)8-9-16-11-14/h4,6,12H,5,7-11H2,1-3H3
InChIKeyBUXNGGVQRWMVGB-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,6R,7R,8R,11R)-4-oxatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene
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6-(Methoxymethyl)-4,6,7-trimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 73556530
4',5'-Dihydro-4-isopropyl-1-methylspiro(bicyclo(2.2.2)oct-5-ene-2,3'(2'H)-furan)
CID 91809131
Helifolen-14-yl methyl ether
CID 91747516
(3aS,3bR,4R,9aR,9bS,11aS)-4,9a,11a-trimethyl-1,3,3a,3b,4,5,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e][2]benzofuran
CID 53955125
(3aS,3bR,9aR,9bR,11aS)-4,9a,11a-trimethyl-1,3,3a,3b,4,5,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e][2]benzofuran
CID 57049203
(1R,4bR,8R)-1-ethenyl-8-(ethoxymethyl)-1,4b,8-trimethyl-3,4,5,6,7,8a,9,10-octahydro-2H-phenanthrene
CID 68359899
(1R,8R)-1-ethenyl-8-(ethoxymethyl)-1,4b,8-trimethyl-3,4,5,6,7,8a,9,10-octahydro-2H-phenanthrene
CID 69634729
1-(5-Cyclohex-3-en-1-yl-2-ethyl-4-methylpentyl)-2,3,4,6-tetramethyl-5-(2-methylbutoxymethyl)cyclohexane
CID 70312945
(3aS,3bS,9aR,9bS,11aS)-1,9a,11a-trimethyl-3,3a,3b,4,6,7,9,9b,10,11-decahydroindeno[4,5-h]isochromene
CID 89816824
5-[(1S)-1,3,3-trimethylcyclohexyl]-1,3,3a,4,7,7a-hexahydro-2-benzofuran
CID 139473550
(3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran
CID 139609240

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]?
The IUPAC name of 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] (CID 91809132) is 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane].
What is the SMILES notation for 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]?
The canonical SMILES for 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] is CC(C)C12C=CC(C)(CC1)CC21CCOC1.
What is the InChIKey of 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]?
The InChIKey is BUXNGGVQRWMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)15-6-4-13(3,5-7-15)10-14(15)8-9-16-11-14/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]?
1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] has a molecular weight of 220.36 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] is sourced from PubChem (CID 91809132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).