(1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol

C20H34O3 — CID 46186118

IUPAC(1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol
SMILESC/C1=C\C=C(\C(C)C)CC[C@@]2(C)O[C@H](CC1)[C@@](C)(O)CC[C@@H]2O
InChIInChI=1S/C20H34O3/c1-14(2)16-8-6-15(3)7-9-18-19(4,22)12-11-17(21)20(5,23-18)13-10-16/h6,8,14,17-18,21-22H,7,9-13H2,1-5H3/b15-6+,16-8+/t17-,18+,19-,20+/m0/s1
InChIKeyQTUZGHUBMTZOIJ-RZAZZTDGSA-N
MW322.49 g/mol
LogP4.14
Rot. Bonds1

About (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol

(1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol (PubChem CID 46186118) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol.

Molecular Properties

Compound Name(1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol
PubChem CID46186118
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol
SMILESC/C1=C\C=C(\C(C)C)CC[C@@]2(C)O[C@H](CC1)[C@@](C)(O)CC[C@@H]2O
InChIInChI=1S/C20H34O3/c1-14(2)16-8-6-15(3)7-9-18-19(4,22)12-11-17(21)20(5,23-18)13-10-16/h6,8,14,17-18,21-22H,7,9-13H2,1-5H3/b15-6+,16-8+/t17-,18+,19-,20+/m0/s1
InChIKeyQTUZGHUBMTZOIJ-RZAZZTDGSA-N
XLogP4.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol with MolForge

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Launch Full Analysis

Related Compounds

Incensole
CID 44583885
1,5,9-Trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
CID 73228441
ehrenberoxide B
CID 46881218
15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 12-isopropyl-1,5,9-trimethyl-
CID 9904641
(1R,2R,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
CID 132583591
[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol
CID 155526464
[(1S,4R,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol
CID 155557334
Ehrenberoxide C
CID 46881226
9-[(1R,2S,5R)-5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2,6-dimethylnon-2-en-5-ol
CID 13247573
(2S,3R,6E)-2-(5-hydroxy-4,8-dimethylnon-7-enyl)-6-(2-hydroxyethylidene)-2-methyloxepan-3-ol
CID 44379330
(2S,3R,6E)-6-(2-hydroxyethylidene)-2-(5-hydroxy-4,5,8-trimethylnon-7-enyl)-2-methyloxepan-3-ol
CID 44379523
(1R,2S,5E,9E,12S,13R)-2,6,10-trimethyl-13-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
CID 162868746

Frequently Asked Questions

What is the IUPAC name of (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol?
The IUPAC name of (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol (CID 46186118) is (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol.
What is the SMILES notation for (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol?
The canonical SMILES for (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol is C/C1=C\C=C(\C(C)C)CC[C@@]2(C)O[C@H](CC1)[C@@](C)(O)CC[C@@H]2O.
What is the InChIKey of (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol?
The InChIKey is QTUZGHUBMTZOIJ-RZAZZTDGSA-N. The full InChI is InChI=1S/C20H34O3/c1-14(2)16-8-6-15(3)7-9-18-19(4,22)12-11-17(21)20(5,23-18)13-10-16/h6,8,14,17-18,21-22H,7,9-13H2,1-5H3/b15-6+,16-8+/t17-,18+,19-,20+/m0/s1.
What are the key properties of (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol?
(1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol has a molecular weight of 322.49 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,6E,10R,11S,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-diene-11,14-diol is sourced from PubChem (CID 46186118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).