1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]

C13H22O2 — CID 130022319

IUPAC1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]
SMILESCC1(C)CCC2(OCCO2)C2(C)CC2C1
InChIInChI=1S/C13H22O2/c1-11(2)4-5-13(14-6-7-15-13)12(3)9-10(12)8-11/h10H,4-9H2,1-3H3
InChIKeyCDABDQBRUUFCQK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.97
Rot. Bonds

About 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]

1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane] (PubChem CID 130022319) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane].

Molecular Properties

Compound Name1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]
PubChem CID130022319
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]
SMILESCC1(C)CCC2(OCCO2)C2(C)CC2C1
InChIInChI=1S/C13H22O2/c1-11(2)4-5-13(14-6-7-15-13)12(3)9-10(12)8-11/h10H,4-9H2,1-3H3
InChIKeyCDABDQBRUUFCQK-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7'a-methylspiro[1,3-dioxolane-2,1'-2,3,3a,4,6,7-hexahydroindene]-5'-one
CID 13412952
(1'S,2'S,4'R,6'S,8'S,11'S,12'S,16'R)-2',8',16'-trimethylspiro[1,3-dioxolane-2,15'-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecane]
CID 11887768
2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
CID 131851587
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 135272503
(4'aS,8'aR)-2'-ethyl-4'a,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
CID 166892307
7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 2778023
CID 134237730
CID 134237730
N-(3,3,6,6-tetramethylcycloheptyl)acetamide
CID 142825671
3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]
CID 123877570
(5S,8R,9S,10S,13R,14R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 11867840
(1S,6S)-3,3-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 98113382
(4'aS,8'aS)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-2'-one
CID 12506826

Frequently Asked Questions

What is the IUPAC name of 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]?
The IUPAC name of 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane] (CID 130022319) is 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane].
What is the SMILES notation for 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]?
The canonical SMILES for 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane] is CC1(C)CCC2(OCCO2)C2(C)CC2C1.
What is the InChIKey of 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]?
The InChIKey is CDABDQBRUUFCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2)4-5-13(14-6-7-15-13)12(3)9-10(12)8-11/h10H,4-9H2,1-3H3.
What are the key properties of 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]?
1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane] has a molecular weight of 210.32 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane] is sourced from PubChem (CID 130022319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).