(5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione

C19H32O3 — CID 142008990

IUPAC(5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione
SMILESC=C1C(=O)OCCC(C)C(C)C(=O)C(C)CCC[C@@H](C)C1C
InChIInChI=1S/C19H32O3/c1-12-8-7-9-14(3)18(20)16(5)13(2)10-11-22-19(21)17(6)15(12)4/h12-16H,6-11H2,1-5H3/t12-,13?,14?,15?,16?/m1/s1
InChIKeyFMNDMZDKLVAMDV-DYCFOQDWSA-N
MW308.46 g/mol
LogP4.41
Rot. Bonds

About (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione

(5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione (PubChem CID 142008990) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione.

Molecular Properties

Compound Name(5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione
PubChem CID142008990
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione
SMILESC=C1C(=O)OCCC(C)C(C)C(=O)C(C)CCC[C@@H](C)C1C
InChIInChI=1S/C19H32O3/c1-12-8-7-9-14(3)18(20)16(5)13(2)10-11-22-19(21)17(6)15(12)4/h12-16H,6-11H2,1-5H3/t12-,13?,14?,15?,16?/m1/s1
InChIKeyFMNDMZDKLVAMDV-DYCFOQDWSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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methyl 2-[(1R,4S,5S)-5-methyl-3-oxo-4-(3-oxobutyl)cycloheptyl]prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione?
The IUPAC name of (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione (CID 142008990) is (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione.
What is the SMILES notation for (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione?
The canonical SMILES for (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione is C=C1C(=O)OCCC(C)C(C)C(=O)C(C)CCC[C@@H](C)C1C.
What is the InChIKey of (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione?
The InChIKey is FMNDMZDKLVAMDV-DYCFOQDWSA-N. The full InChI is InChI=1S/C19H32O3/c1-12-8-7-9-14(3)18(20)16(5)13(2)10-11-22-19(21)17(6)15(12)4/h12-16H,6-11H2,1-5H3/t12-,13?,14?,15?,16?/m1/s1.
What are the key properties of (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione?
(5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione has a molecular weight of 308.46 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,5,9,11,12-pentamethyl-3-methylidene-oxacyclotetradecane-2,10-dione is sourced from PubChem (CID 142008990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).