4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol

C15H26O4 — CID 85446360

IUPAC4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
SMILESCC(C)C1CCC2(C)OC2C(O)CC2(C)OC2C1O
InChIInChI=1S/C15H26O4/c1-8(2)9-5-6-14(3)12(18-14)10(16)7-15(4)13(19-15)11(9)17/h8-13,16-17H,5-7H2,1-4H3
InChIKeyDGXAQSCCBAJJAS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds1

About 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol

4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol (PubChem CID 85446360) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol.

Molecular Properties

Compound Name4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
PubChem CID85446360
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
SMILESCC(C)C1CCC2(C)OC2C(O)CC2(C)OC2C1O
InChIInChI=1S/C15H26O4/c1-8(2)9-5-6-14(3)12(18-14)10(16)7-15(4)13(19-15)11(9)17/h8-13,16-17H,5-7H2,1-4H3
InChIKeyDGXAQSCCBAJJAS-UHFFFAOYSA-N
XLogP1.48
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol with MolForge

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Related Compounds

(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
(1R,2R,3R,4R,6E,10R)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diol
CID 163029056
(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174625058
5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22117962
5-ethynyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 121006611
(1S,4R)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
CID 146157343
2-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-4-one
CID 162852130
1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane
CID 74051960
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol?
The IUPAC name of 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol (CID 85446360) is 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol.
What is the SMILES notation for 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol?
The canonical SMILES for 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol is CC(C)C1CCC2(C)OC2C(O)CC2(C)OC2C1O.
What is the InChIKey of 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol?
The InChIKey is DGXAQSCCBAJJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-8(2)9-5-6-14(3)12(18-14)10(16)7-15(4)13(19-15)11(9)17/h8-13,16-17H,5-7H2,1-4H3.
What are the key properties of 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol?
4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol has a molecular weight of 270.37 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol is sourced from PubChem (CID 85446360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).