5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol

C16H18O2 — CID 66862030

IUPAC5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol
SMILESCC1(C)CCc2cc(O)c3c(c2O1)C1C=CC3C1
InChIInChI=1S/C16H18O2/c1-16(2)6-5-11-8-12(17)13-9-3-4-10(7-9)14(13)15(11)18-16/h3-4,8-10,17H,5-7H2,1-2H3
InChIKeyHSCXKCGXUWTTKF-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.64
Rot. Bonds

About 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol

5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol (PubChem CID 66862030) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol.

Molecular Properties

Compound Name5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol
PubChem CID66862030
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol
SMILESCC1(C)CCc2cc(O)c3c(c2O1)C1C=CC3C1
InChIInChI=1S/C16H18O2/c1-16(2)6-5-11-8-12(17)13-9-3-4-10(7-9)14(13)15(11)18-16/h3-4,8-10,17H,5-7H2,1-2H3
InChIKeyHSCXKCGXUWTTKF-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol?
The IUPAC name of 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol (CID 66862030) is 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol.
What is the SMILES notation for 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol?
The canonical SMILES for 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol is CC1(C)CCc2cc(O)c3c(c2O1)C1C=CC3C1.
What is the InChIKey of 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol?
The InChIKey is HSCXKCGXUWTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-16(2)6-5-11-8-12(17)13-9-3-4-10(7-9)14(13)15(11)18-16/h3-4,8-10,17H,5-7H2,1-2H3.
What are the key properties of 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol?
5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol has a molecular weight of 242.32 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10,13-tetraen-10-ol is sourced from PubChem (CID 66862030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).