(4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one

C19H26O2 — CID 163188442

IUPAC(4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one
SMILESC/C1=C\C/C=C/C=C/[C@@H](C(C)C)CCC2=C[C@@H](C1)OC2=O
InChIInChI=1S/C19H26O2/c1-14(2)16-9-7-5-4-6-8-15(3)12-18-13-17(11-10-16)19(20)21-18/h4-5,7-9,13-14,16,18H,6,10-12H2,1-3H3/b5-4+,9-7+,15-8+/t16-,18-/m1/s1
InChIKeyXGOUVUGDMGCMPG-MRVRVHHDSA-N
MW286.41 g/mol
LogP4.74
Rot. Bonds1

About (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one

(4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one (PubChem CID 163188442) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one.

Molecular Properties

Compound Name(4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one
PubChem CID163188442
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one
SMILESC/C1=C\C/C=C/C=C/[C@@H](C(C)C)CCC2=C[C@@H](C1)OC2=O
InChIInChI=1S/C19H26O2/c1-14(2)16-9-7-5-4-6-8-15(3)12-18-13-17(11-10-16)19(20)21-18/h4-5,7-9,13-14,16,18H,6,10-12H2,1-3H3/b5-4+,9-7+,15-8+/t16-,18-/m1/s1
InChIKeyXGOUVUGDMGCMPG-MRVRVHHDSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one with MolForge

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Related Compounds

(4R,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one
CID 162955521
7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one
CID 75239044
(2E,6S,9E,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-one
CID 162533992
(4S,5E,7R,10E,13S)-4,7-dihydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one
CID 163011596
(1Z,3Z,6Z,10Z)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
CID 5377896
trimethyl-[(5S)-5-propan-2-ylcyclohepta-1,3-dien-1-yl]oxysilane
CID 11322076
(8Z,13R)-5,9-dimethyl-12-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),8-diene-3,15-dione
CID 11551472
(2Z,5S,11R,12R)-12-methoxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),2,8(17),13-tetraen-7-one
CID 135737641
(1R,3E,5S,9R,12E)-3,12-dimethyl-8,17-dimethylidene-6,18-dioxatricyclo[14.2.1.05,9]nonadeca-3,12,16(19)-trien-7-one;hydrate
CID 167538122
methyl 3-methyl-7-oxo-11-prop-1-en-2-yl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),2,8(17),13-tetraene-14-carboxylate
CID 72979741
[(2Z,5S,11R,12S)-3,14-dimethyl-7,13-dioxo-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-trien-1-yl] acetate
CID 135665597
3-propan-2-yl-1,2,3,5-tetrahydronaphthalene
CID 101316545

Frequently Asked Questions

What is the IUPAC name of (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one?
The IUPAC name of (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one (CID 163188442) is (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one.
What is the SMILES notation for (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one?
The canonical SMILES for (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one is C/C1=C\C/C=C/C=C/[C@@H](C(C)C)CCC2=C[C@@H](C1)OC2=O.
What is the InChIKey of (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one?
The InChIKey is XGOUVUGDMGCMPG-MRVRVHHDSA-N. The full InChI is InChI=1S/C19H26O2/c1-14(2)16-9-7-5-4-6-8-15(3)12-18-13-17(11-10-16)19(20)21-18/h4-5,7-9,13-14,16,18H,6,10-12H2,1-3H3/b5-4+,9-7+,15-8+/t16-,18-/m1/s1.
What are the key properties of (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one?
(4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one has a molecular weight of 286.41 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,7E,10E,13R)-11-methyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one is sourced from PubChem (CID 163188442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).