4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol

C11H16O3 — CID 72760608

IUPAC4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol
SMILESCC1(C)OC2C3C=CC(O)C(C3)C2O1
InChIInChI=1S/C11H16O3/c1-11(2)13-9-6-3-4-8(12)7(5-6)10(9)14-11/h3-4,6-10,12H,5H2,1-2H3
InChIKeyLQNCTNXHSMCUGF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.07
Rot. Bonds

About 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol

4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol (PubChem CID 72760608) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol.

Molecular Properties

Compound Name4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol
PubChem CID72760608
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol
SMILESCC1(C)OC2C3C=CC(O)C(C3)C2O1
InChIInChI=1S/C11H16O3/c1-11(2)13-9-6-3-4-8(12)7(5-6)10(9)14-11/h3-4,6-10,12H,5H2,1-2H3
InChIKeyLQNCTNXHSMCUGF-UHFFFAOYSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 89411642
(1R,2R,6S,7R)-10-[(E)-1-chloroprop-1-en-2-yl]-4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene
CID 177478541
(1S,2S,6R,7S)-4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-one
CID 11229323
(1S,2S,6R,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-one
CID 101083477
(1S,2R,6S,7R,8R,9R)-8,9-dibromo-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 11131187
(3aR,4R,6S,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 172641360
(3aS,4S,6R)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 169433456
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 163285082
4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol
CID 14226074
(3aR,4S,8R,8aS)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol
CID 11368010
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
CID 101384233

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol?
The IUPAC name of 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol (CID 72760608) is 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol.
What is the SMILES notation for 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol?
The canonical SMILES for 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol is CC1(C)OC2C3C=CC(O)C(C3)C2O1.
What is the InChIKey of 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol?
The InChIKey is LQNCTNXHSMCUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2)13-9-6-3-4-8(12)7(5-6)10(9)14-11/h3-4,6-10,12H,5H2,1-2H3.
What are the key properties of 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol?
4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol has a molecular weight of 196.25 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol is sourced from PubChem (CID 72760608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).