11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one

C15H22O3 — CID 135031979

IUPAC11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one
SMILESCC1(C)OC2C3CCC4(CCC(=O)CC4C3)C2O1
InChIInChI=1S/C15H22O3/c1-14(2)17-12-9-3-5-15(13(12)18-14)6-4-11(16)8-10(15)7-9/h9-10,12-13H,3-8H2,1-2H3
InChIKeyNVDAPPDZFBSWBC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds

About 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one

11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one (PubChem CID 135031979) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one.

Molecular Properties

Compound Name11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one
PubChem CID135031979
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one
SMILESCC1(C)OC2C3CCC4(CCC(=O)CC4C3)C2O1
InChIInChI=1S/C15H22O3/c1-14(2)17-12-9-3-5-15(13(12)18-14)6-4-11(16)8-10(15)7-9/h9-10,12-13H,3-8H2,1-2H3
InChIKeyNVDAPPDZFBSWBC-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one?
The IUPAC name of 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one (CID 135031979) is 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one.
What is the SMILES notation for 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one?
The canonical SMILES for 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one is CC1(C)OC2C3CCC4(CCC(=O)CC4C3)C2O1.
What is the InChIKey of 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one?
The InChIKey is NVDAPPDZFBSWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)17-12-9-3-5-15(13(12)18-14)6-4-11(16)8-10(15)7-9/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one?
11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one has a molecular weight of 250.34 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one is sourced from PubChem (CID 135031979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).