4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol

C15H26O2 — CID 5024745

IUPAC4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol
SMILESCC1(C)CC2C1CCC1(C)OC1CCC2(C)O
InChIInChI=1S/C15H26O2/c1-13(2)9-11-10(13)5-8-15(4)12(17-15)6-7-14(11,3)16/h10-12,16H,5-9H2,1-4H3
InChIKeyKGYCKUADVHYVLM-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.13
Rot. Bonds

About 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol

4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol (PubChem CID 5024745) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol.

Molecular Properties

Compound Name4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol
PubChem CID5024745
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol
SMILESCC1(C)CC2C1CCC1(C)OC1CCC2(C)O
InChIInChI=1S/C15H26O2/c1-13(2)9-11-10(13)5-8-15(4)12(17-15)6-7-14(11,3)16/h10-12,16H,5-9H2,1-4H3
InChIKeyKGYCKUADVHYVLM-UHFFFAOYSA-N
XLogP3.13
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol?
The IUPAC name of 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol (CID 5024745) is 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol.
What is the SMILES notation for 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol?
The canonical SMILES for 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol is CC1(C)CC2C1CCC1(C)OC1CCC2(C)O.
What is the InChIKey of 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol?
The InChIKey is KGYCKUADVHYVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)9-11-10(13)5-8-15(4)12(17-15)6-7-14(11,3)16/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol?
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol has a molecular weight of 238.37 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol is sourced from PubChem (CID 5024745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).