(2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]

C15H22O2 — CID 15855620

IUPAC(2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]
SMILESC=C[C@H]1C[C@H]2/C=C\CCCC3(OCCO3)[C@H]2C1
InChIInChI=1S/C15H22O2/c1-2-12-10-13-6-4-3-5-7-15(14(13)11-12)16-8-9-17-15/h2,4,6,12-14H,1,3,5,7-11H2/b6-4-/t12-,13+,14-/m0/s1
InChIKeyBMWBXXPHNLFICG-DCUPDMMRSA-N
MW234.34 g/mol
LogP3.30
Rot. Bonds1

About (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]

(2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane] (PubChem CID 15855620) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane].

Molecular Properties

Compound Name(2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]
PubChem CID15855620
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]
SMILESC=C[C@H]1C[C@H]2/C=C\CCCC3(OCCO3)[C@H]2C1
InChIInChI=1S/C15H22O2/c1-2-12-10-13-6-4-3-5-7-15(14(13)11-12)16-8-9-17-15/h2,4,6,12-14H,1,3,5,7-11H2/b6-4-/t12-,13+,14-/m0/s1
InChIKeyBMWBXXPHNLFICG-DCUPDMMRSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane] with MolForge

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Related Compounds

(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene
CID 134928906
7-ethenyl-1,4-dioxaspiro[4.5]decane
CID 69192706
8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
CID 102215184
(2S,3aS,5aR,7R,8aR,9aS)-2,7-bis(ethenyl)-1,2,3,3a,5a,6,7,8,8a,9a-decahydrocyclopenta[f]azulen-9-one
CID 16726764
8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 130067842
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
(1E)-3-prop-2-enylcyclododecene
CID 173111718
3-prop-2-enylcyclododecene
CID 173111720
spiro[1,3-dioxolane-2,2'-7-oxabicyclo[4.1.0]heptane]
CID 10953761
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
(12E)-1,4-dioxaspiro[4.15]icos-12-ene
CID 11357975
9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]?
The IUPAC name of (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane] (CID 15855620) is (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane].
What is the SMILES notation for (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]?
The canonical SMILES for (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane] is C=C[C@H]1C[C@H]2/C=C\CCCC3(OCCO3)[C@H]2C1.
What is the InChIKey of (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]?
The InChIKey is BMWBXXPHNLFICG-DCUPDMMRSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-12-10-13-6-4-3-5-7-15(14(13)11-12)16-8-9-17-15/h2,4,6,12-14H,1,3,5,7-11H2/b6-4-/t12-,13+,14-/m0/s1.
What are the key properties of (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]?
(2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane] has a molecular weight of 234.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane] is sourced from PubChem (CID 15855620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).