(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]

C10H16O2 — CID 125482825

IUPAC(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]
SMILESC[C@@]12C[C@H]1CCC1(C2)OCCO1
InChIInChI=1S/C10H16O2/c1-9-6-8(9)2-3-10(7-9)11-4-5-12-10/h8H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeySOKXOAYGBVAPIX-BDAKNGLRSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds

About (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]

(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane] (PubChem CID 125482825) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane].

Molecular Properties

Compound Name(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]
PubChem CID125482825
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]
SMILESC[C@@]12C[C@H]1CCC1(C2)OCCO1
InChIInChI=1S/C10H16O2/c1-9-6-8(9)2-3-10(7-9)11-4-5-12-10/h8H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeySOKXOAYGBVAPIX-BDAKNGLRSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
(5S,8R,9S,10S,13S,14R,17R)-10,13-dimethylspiro[1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,2'-1,3-dioxolane]-17-ol
CID 125028227
(4aS)-spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-carbonitrile
CID 44725299
12,12-dimethyl-7,10-dioxadispiro[2.2.46.23]dodecane
CID 175914993
spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]
CID 149093719
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
7,8-ditert-butyl-1,4-dioxaspiro[4.5]decane
CID 20747800
spiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 13062431
(1'S,3'aR,7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
CID 11183452
(3aS,7aR)-7a-ethynyl-7,7-dimethylspiro[1,2,3,3a,4,6-hexahydroindene-5,2'-1,3-dioxolane]
CID 71518468
N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83033541
(1aR,1bS,5aS,6S,6aS)-1b-methylspiro[1,1a,2,4,5,5a,6,6a-octahydrocyclopropa[a]indene-3,2'-1,3-dioxolane]-6-carbaldehyde
CID 135045495

Frequently Asked Questions

What is the IUPAC name of (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]?
The IUPAC name of (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane] (CID 125482825) is (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane].
What is the SMILES notation for (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]?
The canonical SMILES for (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane] is C[C@@]12C[C@H]1CCC1(C2)OCCO1.
What is the InChIKey of (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]?
The InChIKey is SOKXOAYGBVAPIX-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-6-8(9)2-3-10(7-9)11-4-5-12-10/h8H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]?
(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane] has a molecular weight of 168.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane] is sourced from PubChem (CID 125482825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).