10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane

C12H20O2 — CID 162490501

IUPAC10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane
SMILESCC(C)(C)C1C2COC3OCC1C3C2
InChIInChI=1S/C12H20O2/c1-12(2,3)10-7-4-8-9(10)6-14-11(8)13-5-7/h7-11H,4-6H2,1-3H3
InChIKeyHKPBTSCARWONIM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.29
Rot. Bonds

About 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane

10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane (PubChem CID 162490501) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane.

Molecular Properties

Compound Name10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane
PubChem CID162490501
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane
SMILESCC(C)(C)C1C2COC3OCC1C3C2
InChIInChI=1S/C12H20O2/c1-12(2,3)10-7-4-8-9(10)6-14-11(8)13-5-7/h7-11H,4-6H2,1-3H3
InChIKeyHKPBTSCARWONIM-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
CID 168806834
2-[(4S,7S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl]acetic acid
CID 154650166
ethyl 2-[(4S,7S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl]acetate
CID 154650169
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
1,2,3,4-tetratert-butylcyclobutane
CID 164732302
(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane
CID 142869266
(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
CID 130756816
(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane
CID 159774556
5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane
CID 176747824
(1S,2S,3R,4S,6R)-3-chloro-6-[(2S,4S)-4-methyl-1,3-dioxolan-2-yl]bicyclo[2.2.1]heptan-2-ol
CID 98152420
N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 89020834
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The IUPAC name of 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane (CID 162490501) is 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane.
What is the SMILES notation for 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The canonical SMILES for 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane is CC(C)(C)C1C2COC3OCC1C3C2.
What is the InChIKey of 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The InChIKey is HKPBTSCARWONIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2,3)10-7-4-8-9(10)6-14-11(8)13-5-7/h7-11H,4-6H2,1-3H3.
What are the key properties of 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane?
10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane has a molecular weight of 196.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane is sourced from PubChem (CID 162490501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).