(3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]

C15H26O2 — CID 135017049

IUPAC(3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]
SMILESCCCC1C[C@H]2CCC3(CC[C@H]2C1)OCCO3
InChIInChI=1S/C15H26O2/c1-2-3-12-10-13-4-6-15(16-8-9-17-15)7-5-14(13)11-12/h12-14H,2-11H2,1H3/t12?,13-,14+
InChIKeyJFOFVGFZMJMTRU-AGUYFDCRSA-N
MW238.37 g/mol
LogP3.75
Rot. Bonds2

About (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]

(3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene] (PubChem CID 135017049) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene].

Molecular Properties

Compound Name(3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]
PubChem CID135017049
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]
SMILESCCCC1C[C@H]2CCC3(CC[C@H]2C1)OCCO3
InChIInChI=1S/C15H26O2/c1-2-3-12-10-13-4-6-15(16-8-9-17-15)7-5-14(13)11-12/h12-14H,2-11H2,1H3/t12?,13-,14+
InChIKeyJFOFVGFZMJMTRU-AGUYFDCRSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]?
The IUPAC name of (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene] (CID 135017049) is (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene].
What is the SMILES notation for (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]?
The canonical SMILES for (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene] is CCCC1C[C@H]2CCC3(CC[C@H]2C1)OCCO3.
What is the InChIKey of (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]?
The InChIKey is JFOFVGFZMJMTRU-AGUYFDCRSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-12-10-13-4-6-15(16-8-9-17-15)7-5-14(13)11-12/h12-14H,2-11H2,1H3/t12?,13-,14+.
What are the key properties of (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]?
(3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene] has a molecular weight of 238.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene] is sourced from PubChem (CID 135017049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).