1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol

C15H24O3 — CID 5232864

IUPAC1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
SMILESC=C(C)C1CC2OC2(C)CCC2OC2(C)C(O)C1
InChIInChI=1S/C15H24O3/c1-9(2)10-7-11(16)15(4)12(18-15)5-6-14(3)13(8-10)17-14/h10-13,16H,1,5-8H2,2-4H3
InChIKeyLUROAEMLWUKGIP-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.43
Rot. Bonds1

About 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol

1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol (PubChem CID 5232864) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol.

Molecular Properties

Compound Name1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
PubChem CID5232864
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
SMILESC=C(C)C1CC2OC2(C)CCC2OC2(C)C(O)C1
InChIInChI=1S/C15H24O3/c1-9(2)10-7-11(16)15(4)12(18-15)5-6-14(3)13(8-10)17-14/h10-13,16H,1,5-8H2,2-4H3
InChIKeyLUROAEMLWUKGIP-UHFFFAOYSA-N
XLogP2.43
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol?
The IUPAC name of 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol (CID 5232864) is 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol.
What is the SMILES notation for 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol?
The canonical SMILES for 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol is C=C(C)C1CC2OC2(C)CCC2OC2(C)C(O)C1.
What is the InChIKey of 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol?
The InChIKey is LUROAEMLWUKGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)10-7-11(16)15(4)12(18-15)5-6-14(3)13(8-10)17-14/h10-13,16H,1,5-8H2,2-4H3.
What are the key properties of 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol?
1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol has a molecular weight of 252.35 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol is sourced from PubChem (CID 5232864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).