(1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]

C11H16O2 — CID 58906733

IUPAC(1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESC/C=C/[C@H]1[C@H]2CCC3(OCCO3)[C@@H]12
InChIInChI=1S/C11H16O2/c1-2-3-8-9-4-5-11(10(8)9)12-6-7-13-11/h2-3,8-10H,4-7H2,1H3/b3-2+/t8-,9+,10-/m0/s1
InChIKeyWZLBZWXAUPWBKE-NOTVGZETSA-N
MW180.25 g/mol
LogP1.96
Rot. Bonds1

About (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]

(1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (PubChem CID 58906733) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].

Molecular Properties

Compound Name(1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
PubChem CID58906733
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESC/C=C/[C@H]1[C@H]2CCC3(OCCO3)[C@@H]12
InChIInChI=1S/C11H16O2/c1-2-3-8-9-4-5-11(10(8)9)12-6-7-13-11/h2-3,8-10H,4-7H2,1H3/b3-2+/t8-,9+,10-/m0/s1
InChIKeyWZLBZWXAUPWBKE-NOTVGZETSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The IUPAC name of (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (CID 58906733) is (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].
What is the SMILES notation for (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The canonical SMILES for (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is C/C=C/[C@H]1[C@H]2CCC3(OCCO3)[C@@H]12.
What is the InChIKey of (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The InChIKey is WZLBZWXAUPWBKE-NOTVGZETSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-8-9-4-5-11(10(8)9)12-6-7-13-11/h2-3,8-10H,4-7H2,1H3/b3-2+/t8-,9+,10-/m0/s1.
What are the key properties of (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
(1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] has a molecular weight of 180.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is sourced from PubChem (CID 58906733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).