7,11,11-trimethyl-1,5-dioxacycloundecan-6-one

C12H22O3 — CID 118518681

IUPAC7,11,11-trimethyl-1,5-dioxacycloundecan-6-one
SMILESCC1CCCC(C)(C)OCCCOC1=O
InChIInChI=1S/C12H22O3/c1-10-6-4-7-12(2,3)15-9-5-8-14-11(10)13/h10H,4-9H2,1-3H3
InChIKeyFCHHNXRTINPYOR-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds

About 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one

7,11,11-trimethyl-1,5-dioxacycloundecan-6-one (PubChem CID 118518681) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one.

Molecular Properties

Compound Name7,11,11-trimethyl-1,5-dioxacycloundecan-6-one
PubChem CID118518681
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name7,11,11-trimethyl-1,5-dioxacycloundecan-6-one
SMILESCC1CCCC(C)(C)OCCCOC1=O
InChIInChI=1S/C12H22O3/c1-10-6-4-7-12(2,3)15-9-5-8-14-11(10)13/h10H,4-9H2,1-3H3
InChIKeyFCHHNXRTINPYOR-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one?
The IUPAC name of 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one (CID 118518681) is 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one.
What is the SMILES notation for 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one?
The canonical SMILES for 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one is CC1CCCC(C)(C)OCCCOC1=O.
What is the InChIKey of 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one?
The InChIKey is FCHHNXRTINPYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10-6-4-7-12(2,3)15-9-5-8-14-11(10)13/h10H,4-9H2,1-3H3.
What are the key properties of 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one?
7,11,11-trimethyl-1,5-dioxacycloundecan-6-one has a molecular weight of 214.30 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,11-trimethyl-1,5-dioxacycloundecan-6-one is sourced from PubChem (CID 118518681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).