(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]

C10H16O2 — CID 58906732

IUPAC(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESCC[C@H]1[C@H]2CCC3(OCCO3)[C@H]21
InChIInChI=1S/C10H16O2/c1-2-7-8-3-4-10(9(7)8)11-5-6-12-10/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyJVNGSYKEXPMLJU-YIZRAAEISA-N
MW168.24 g/mol
LogP1.80
Rot. Bonds1

About (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]

(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (PubChem CID 58906732) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].

Molecular Properties

Compound Name(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
PubChem CID58906732
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESCC[C@H]1[C@H]2CCC3(OCCO3)[C@H]21
InChIInChI=1S/C10H16O2/c1-2-7-8-3-4-10(9(7)8)11-5-6-12-10/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyJVNGSYKEXPMLJU-YIZRAAEISA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The IUPAC name of (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (CID 58906732) is (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].
What is the SMILES notation for (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The canonical SMILES for (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is CC[C@H]1[C@H]2CCC3(OCCO3)[C@H]21.
What is the InChIKey of (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The InChIKey is JVNGSYKEXPMLJU-YIZRAAEISA-N. The full InChI is InChI=1S/C10H16O2/c1-2-7-8-3-4-10(9(7)8)11-5-6-12-10/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] has a molecular weight of 168.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is sourced from PubChem (CID 58906732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).