(1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol

C19H32O3 — CID 46881226

IUPAC(1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol
SMILESC/C1=C\C=C(\C(C)C)C[C@](C)(O)[C@H]2CC[C@](C)(O)[C@@H](CC1)O2
InChIInChI=1S/C19H32O3/c1-13(2)15-8-6-14(3)7-9-16-18(4,20)11-10-17(22-16)19(5,21)12-15/h6,8,13,16-17,20-21H,7,9-12H2,1-5H3/b14-6+,15-8+/t16-,17-,18+,19+/m1/s1
InChIKeyADRQUYQPINKXPW-RWOJJBTQSA-N
MW308.46 g/mol
LogP3.75
Rot. Bonds1

About (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol

(1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol (PubChem CID 46881226) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol.

Molecular Properties

Compound Name(1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol
PubChem CID46881226
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol
SMILESC/C1=C\C=C(\C(C)C)C[C@](C)(O)[C@H]2CC[C@](C)(O)[C@@H](CC1)O2
InChIInChI=1S/C19H32O3/c1-13(2)15-8-6-14(3)7-9-16-18(4,20)11-10-17(22-16)19(5,21)12-15/h6,8,13,16-17,20-21H,7,9-12H2,1-5H3/b14-6+,15-8+/t16-,17-,18+,19+/m1/s1
InChIKeyADRQUYQPINKXPW-RWOJJBTQSA-N
XLogP3.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol?
The IUPAC name of (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol (CID 46881226) is (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol.
What is the SMILES notation for (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol?
The canonical SMILES for (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol is C/C1=C\C=C(\C(C)C)C[C@](C)(O)[C@H]2CC[C@](C)(O)[C@@H](CC1)O2.
What is the InChIKey of (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol?
The InChIKey is ADRQUYQPINKXPW-RWOJJBTQSA-N. The full InChI is InChI=1S/C19H32O3/c1-13(2)15-8-6-14(3)7-9-16-18(4,20)11-10-17(22-16)19(5,21)12-15/h6,8,13,16-17,20-21H,7,9-12H2,1-5H3/b14-6+,15-8+/t16-,17-,18+,19+/m1/s1.
What are the key properties of (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol?
(1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol has a molecular weight of 308.46 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol is sourced from PubChem (CID 46881226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).