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

C16H22O — CID 15637566

IUPAC(1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]
SMILESC=C1[C@@H]2CCC[C@@]23C=C[C@@H](O3)C12CCCCC2
InChIInChI=1S/C16H22O/c1-12-13-6-5-10-16(13)11-7-14(17-16)15(12)8-3-2-4-9-15/h7,11,13-14H,1-6,8-10H2/t13-,14+,16+/m0/s1
InChIKeyNHSCPVWSQIYVQL-SQWLQELKSA-N
MW230.35 g/mol
LogP4.00
Rot. Bonds

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

(1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] (PubChem CID 15637566) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane].

Molecular Properties

Compound Name(1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]
PubChem CID15637566
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]
SMILESC=C1[C@@H]2CCC[C@@]23C=C[C@@H](O3)C12CCCCC2
InChIInChI=1S/C16H22O/c1-12-13-6-5-10-16(13)11-7-14(17-16)15(12)8-3-2-4-9-15/h7,11,13-14H,1-6,8-10H2/t13-,14+,16+/m0/s1
InChIKeyNHSCPVWSQIYVQL-SQWLQELKSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Related Compounds

1-bromo-2-methylidenespiro[2.4]heptane
CID 71396143
1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane
CID 102079286
3-methylidenespiro[5.5]undec-4-ene
CID 13205232
(1S,2R,5S,6S)-1-[(1S)-1-hydroxypropyl]-5-methyl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one
CID 10489990
1-fluoro-13-oxabicyclo[10.1.0]tridecane
CID 11052651
3-methylidenespiro[5.5]undeca-1,4-diene
CID 13113851
(1S,5S,12R)-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-6,13-dien-10-one
CID 138525477
2-methylidene-4,8-dioxaspiro[2.5]octane
CID 67175350
3-(1-oxaspiro[2.5]octan-2-yl)pyridine
CID 10726324
spiro[4.10]pentadeca-1,3-diene
CID 59741946
spiro[4.7]dodeca-1,3-diene
CID 59742087
spiro[4.14]nonadeca-1,3-diene
CID 59742110

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]?
The IUPAC name of (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] (CID 15637566) is (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane].
What is the SMILES notation for (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]?
The canonical SMILES for (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] is C=C1[C@@H]2CCC[C@@]23C=C[C@@H](O3)C12CCCCC2.
What is the InChIKey of (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]?
The InChIKey is NHSCPVWSQIYVQL-SQWLQELKSA-N. The full InChI is InChI=1S/C16H22O/c1-12-13-6-5-10-16(13)11-7-14(17-16)15(12)8-3-2-4-9-15/h7,11,13-14H,1-6,8-10H2/t13-,14+,16+/m0/s1.
What are the key properties of (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane]?
(1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] has a molecular weight of 230.35 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8R)-6-methylidenespiro[11-oxatricyclo[6.2.1.01,5]undec-9-ene-7,1'-cyclohexane] is sourced from PubChem (CID 15637566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).