(1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one

C20H30O3 — CID 162856924

IUPAC(1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one
SMILESCC1=CC=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@H](O)CC1
InChIInChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14,18,21H,5,8,10-13H2,1-4H3/t18-,20-/m1/s1
InChIKeyUPVZGDDJVFXWOG-UYAOXDASSA-N
MW318.46 g/mol
LogP4.47
Rot. Bonds1

About (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one

(1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one (PubChem CID 162856924) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one.

Molecular Properties

Compound Name(1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one
PubChem CID162856924
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one
SMILESCC1=CC=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@H](O)CC1
InChIInChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14,18,21H,5,8,10-13H2,1-4H3/t18-,20-/m1/s1
InChIKeyUPVZGDDJVFXWOG-UYAOXDASSA-N
XLogP4.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

[(2R,5Z)-1,5-dimethyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-2-yl] acetate
CID 138404385
(1R,2S,5E)-2-hydroxy-1,5-dimethyl-8-prop-1-en-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,11-dien-16-one
CID 44584117
methyl (1S,5Z,7E)-1-methyl-2,16-dioxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
CID 73350688
methyl (1R,5Z,7Z)-1-methyl-2,16-dioxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
CID 162965491
1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
CID 162979364
(1S,2R,4R,7S,8R)-2-hydroxy-1,7,8-trimethyl-17-methylidene-15-oxatricyclo[9.3.2.14,8]heptadec-11-en-16-one
CID 162930135
methyl 2-[(1R,4E,6E,10E,14R)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-7-yl]propanoate
CID 10544586
[(1S,2S,3Z,7S,8R,18R,19R,20R,21S,23E,27S)-7-hydroxy-4,8,16,23,27-pentamethyl-29,31,33-trioxo-20-propan-2-yl-32,34-dioxapentacyclo[17.11.2.28,12.01,18.02,15]tetratriaconta-3,11,15,23-tetraen-21-yl] acetate
CID 155527991
(4E,8Z,10Z)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
CID 20847666
dimethyl (1R,4E,6Z,10Z,14S)-14-methyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene-4,10-dicarboxylate
CID 101427087
dimethyl (1R,4Z,6E,10Z,14R)-14-methyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene-4,10-dicarboxylate
CID 11749222
dimethyl (1R,4Z,6E,10E,14R)-14-methyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene-4,10-dicarboxylate
CID 162939114

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one?
The IUPAC name of (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one (CID 162856924) is (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one.
What is the SMILES notation for (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one?
The canonical SMILES for (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one is CC1=CC=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@H](O)CC1.
What is the InChIKey of (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one?
The InChIKey is UPVZGDDJVFXWOG-UYAOXDASSA-N. The full InChI is InChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14,18,21H,5,8,10-13H2,1-4H3/t18-,20-/m1/s1.
What are the key properties of (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one?
(1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one has a molecular weight of 318.46 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-16-one is sourced from PubChem (CID 162856924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).