2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol

C14H24O3 — CID 130198376

IUPAC2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol
SMILESCCC[C@@]1(CCO)CC[C@@H]2[C@H]1CC21OCCO1
InChIInChI=1S/C14H24O3/c1-2-4-13(6-7-15)5-3-11-12(13)10-14(11)16-8-9-17-14/h11-12,15H,2-10H2,1H3/t11-,12-,13+/m1/s1
InChIKeyKSDMMMSEJJBWBS-UPJWGTAASA-N
MW240.34 g/mol
LogP2.33
Rot. Bonds4

About 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol

2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol (PubChem CID 130198376) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol.

Molecular Properties

Compound Name2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol
PubChem CID130198376
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol
SMILESCCC[C@@]1(CCO)CC[C@@H]2[C@H]1CC21OCCO1
InChIInChI=1S/C14H24O3/c1-2-4-13(6-7-15)5-3-11-12(13)10-14(11)16-8-9-17-14/h11-12,15H,2-10H2,1H3/t11-,12-,13+/m1/s1
InChIKeyKSDMMMSEJJBWBS-UPJWGTAASA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol?
The IUPAC name of 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol (CID 130198376) is 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol.
What is the SMILES notation for 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol?
The canonical SMILES for 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol is CCC[C@@]1(CCO)CC[C@@H]2[C@H]1CC21OCCO1.
What is the InChIKey of 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol?
The InChIKey is KSDMMMSEJJBWBS-UPJWGTAASA-N. The full InChI is InChI=1S/C14H24O3/c1-2-4-13(6-7-15)5-3-11-12(13)10-14(11)16-8-9-17-14/h11-12,15H,2-10H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol?
2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol has a molecular weight of 240.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1'R,2'S,5'R)-2'-propylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-yl]ethanol is sourced from PubChem (CID 130198376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).