6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]

C11H16O2 — CID 69063613

IUPAC6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESCC=CC1C2CCC3(OCCO3)C12
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
InChIKeyWZLBZWXAUPWBKE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.96
Rot. Bonds1

About 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]

6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (PubChem CID 69063613) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].

Molecular Properties

Compound Name6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
PubChem CID69063613
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESCC=CC1C2CCC3(OCCO3)C12
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
InChIKeyWZLBZWXAUPWBKE-UHFFFAOYSA-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 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The IUPAC name of 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (CID 69063613) is 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].
What is the SMILES notation for 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The canonical SMILES for 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is CC=CC1C2CCC3(OCCO3)C12.
What is the InChIKey of 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The InChIKey is WZLBZWXAUPWBKE-UHFFFAOYSA-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.
What are the key properties of 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
6'-prop-1-enylspiro[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 6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is sourced from PubChem (CID 69063613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).