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

C9H13ClO2 — CID 57413279

IUPAC(1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESCC1(Cl)[C@@H]2CCC3(OCCO3)[C@@H]21
InChIInChI=1S/C9H13ClO2/c1-8(10)6-2-3-9(7(6)8)11-4-5-12-9/h6-7H,2-5H2,1H3/t6-,7+,8?/m1/s1
InChIKeyFBPDOQNHDXLFKU-KVARREAHSA-N
MW188.65 g/mol
LogP1.77
Rot. Bonds

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

(1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (PubChem CID 57413279) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is (1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].

Molecular Properties

Compound Name(1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
PubChem CID57413279
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name(1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESCC1(Cl)[C@@H]2CCC3(OCCO3)[C@@H]21
InChIInChI=1S/C9H13ClO2/c1-8(10)6-2-3-9(7(6)8)11-4-5-12-9/h6-7H,2-5H2,1H3/t6-,7+,8?/m1/s1
InChIKeyFBPDOQNHDXLFKU-KVARREAHSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

(1'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
CID 134875237
(3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol
CID 10912473
(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 58906732
(3'aR,6'aR)-spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydropentalene]-1'-one
CID 11252354
6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 69063613
(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
CID 102463401
(1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 58906733
7'-methylspiro[1,3-dioxolane-2,1'-2,3,3a,5,6,7,8,8a-octahydroazulene]-4'-one
CID 559651
2,3-dichloro-2-methyl-1,4-dioxane
CID 13155217
[(1'R,5'R)-spiro[1,3-dioxolane-2,3'-tricyclo[3.3.0.02,8]octane]-1'-yl]methanol
CID 11063350
(1',4'a-dimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydro-1H-phenanthrene]-8'a-yl)methanol
CID 144717053
(1'R,2'R,6'R,7'R)-1'-methylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 177447146

Frequently Asked Questions

What is the IUPAC name of (1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The IUPAC name of (1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (CID 57413279) is (1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].
What is the SMILES notation for (1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The canonical SMILES for (1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is CC1(Cl)[C@@H]2CCC3(OCCO3)[C@@H]21.
What is the InChIKey of (1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The InChIKey is FBPDOQNHDXLFKU-KVARREAHSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-8(10)6-2-3-9(7(6)8)11-4-5-12-9/h6-7H,2-5H2,1H3/t6-,7+,8?/m1/s1.
What are the key properties of (1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
(1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] has a molecular weight of 188.65 g/mol, XLogP of 1.77, 0 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'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is sourced from PubChem (CID 57413279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).