1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane

C12H20O2 — CID 88759012

IUPAC1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
SMILESCC1(C)C2CCC1(C)C1OCCOC21
InChIInChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-9(8)13-6-7-14-10/h8-10H,4-7H2,1-3H3
InChIKeyMRQPZPLEQYPTJS-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.23
Rot. Bonds

About 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane

1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane (PubChem CID 88759012) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
PubChem CID88759012
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
SMILESCC1(C)C2CCC1(C)C1OCCOC21
InChIInChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-9(8)13-6-7-14-10/h8-10H,4-7H2,1-3H3
InChIKeyMRQPZPLEQYPTJS-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane
CID 20583895
CID 136835222
CID 136835222
(1S,2R,4S,6R,7S)-1,10,10-trimethyl-4-[[(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane
CID 97299593
(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane
CID 18596078
(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 12916575
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
CID 18389887
(2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane
CID 70487131
(1S,2R,7R,8S,9S)-1-methyl-3,6-dioxatricyclo[6.4.0.02,7]dodecan-9-ol
CID 130756922
[propanoyloxymethoxy-[[(4R,5S,6R,7R,8S,9S)-6,7,8-tris[bis(propanoyloxymethoxy)phosphoryloxy]-12,15,15-trimethyl-3,10-dioxatetracyclo[10.2.1.02,11.04,9]pentadecan-5-yl]oxy]phosphoryl]oxymethyl propanoate
CID 10192287
1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
CID 2750624
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101

Frequently Asked Questions

What is the IUPAC name of 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane?
The IUPAC name of 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane (CID 88759012) is 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane?
The canonical SMILES for 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane is CC1(C)C2CCC1(C)C1OCCOC21.
What is the InChIKey of 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane?
The InChIKey is MRQPZPLEQYPTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-9(8)13-6-7-14-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane?
1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane has a molecular weight of 196.29 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 88759012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).