(1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]

C17H24O — CID 10657961

IUPAC(1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]
SMILESC=C1[C@H]2CC[C@@H](C)[C@@]23C=C[C@H](O3)C12CCCCC2
InChIInChI=1S/C17H24O/c1-12-6-7-14-13(2)16(9-4-3-5-10-16)15-8-11-17(12,14)18-15/h8,11-12,14-15H,2-7,9-10H2,1H3/t12-,14-,15+,17+/m1/s1
InChIKeyFSHFIHUZXXEFBE-UTXMOHQDSA-N
MW244.38 g/mol
LogP4.25
Rot. Bonds

About (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]

(1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] (PubChem CID 10657961) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane].

Molecular Properties

Compound Name(1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]
PubChem CID10657961
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]
SMILESC=C1[C@H]2CC[C@@H](C)[C@@]23C=C[C@H](O3)C12CCCCC2
InChIInChI=1S/C17H24O/c1-12-6-7-14-13(2)16(9-4-3-5-10-16)15-8-11-17(12,14)18-15/h8,11-12,14-15H,2-7,9-10H2,1H3/t12-,14-,15+,17+/m1/s1
InChIKeyFSHFIHUZXXEFBE-UTXMOHQDSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]?
The IUPAC name of (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] (CID 10657961) is (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane].
What is the SMILES notation for (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]?
The canonical SMILES for (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] is C=C1[C@H]2CC[C@@H](C)[C@@]23C=C[C@H](O3)C12CCCCC2.
What is the InChIKey of (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]?
The InChIKey is FSHFIHUZXXEFBE-UTXMOHQDSA-N. The full InChI is InChI=1S/C17H24O/c1-12-6-7-14-13(2)16(9-4-3-5-10-16)15-8-11-17(12,14)18-15/h8,11-12,14-15H,2-7,9-10H2,1H3/t12-,14-,15+,17+/m1/s1.
What are the key properties of (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]?
(1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] has a molecular weight of 244.38 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,8S)-2-methyl-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] is sourced from PubChem (CID 10657961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).