(2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]

C15H24O2 — CID 135037887

IUPAC(2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12O[C@H]1C=CC[C@H]1O2
InChIInChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)9-15(12)16-13-5-4-6-14(13)17-15/h4-5,10-14H,6-9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
InChIKeyXCXORCNPFKQUMT-FQKPHLNHSA-N
MW236.35 g/mol
LogP3.52
Rot. Bonds1

About (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]

(2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 135037887) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name(2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
PubChem CID135037887
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12O[C@H]1C=CC[C@H]1O2
InChIInChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)9-15(12)16-13-5-4-6-14(13)17-15/h4-5,10-14H,6-9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
InChIKeyXCXORCNPFKQUMT-FQKPHLNHSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] with MolForge

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Related Compounds

(2S,2'S,3aR,5'R,6aS)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 10585915
2-[(E)-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-1-enyl]-1,3-dioxolane
CID 134942052
8-Propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
CID 14136803
5,6-Bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618957
1-(3-Methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618969
6-Methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 22619035
(4S,5S)-4-ethenyl-2,2-dimethyl-5-[[(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-dioxolane
CID 59987664
5-(5-Methyl-2-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 70171059
5-Methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 70171785
5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene
CID 70565816
1-Ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane
CID 155615817
(4S,5S)-4-[[(1S,4S,6R)-4-ethenoxy-6-[(E)-oct-6-enyl]cyclohex-2-en-1-yl]methyl]-2,2-dimethyl-5-[(E)-pent-3-enyl]-1,3-dioxolane
CID 11362055

Frequently Asked Questions

What is the IUPAC name of (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]?
The IUPAC name of (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] (CID 135037887) is (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane].
What is the SMILES notation for (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]?
The canonical SMILES for (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] is CC(C)[C@@H]1CC[C@@H](C)C[C@@]12O[C@H]1C=CC[C@H]1O2.
What is the InChIKey of (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]?
The InChIKey is XCXORCNPFKQUMT-FQKPHLNHSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)9-15(12)16-13-5-4-6-14(13)17-15/h4-5,10-14H,6-9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1.
What are the key properties of (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]?
(2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 236.35 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 135037887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).