(1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol

C15H24O2 — CID 52945608

IUPAC(1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol
SMILESC/C1=C\CC(C)(C)/C=C/[C@H](O)[C@@]2(C)O[C@H]2CC1
InChIInChI=1S/C15H24O2/c1-11-5-6-13-15(4,17-13)12(16)8-10-14(2,3)9-7-11/h7-8,10,12-13,16H,5-6,9H2,1-4H3/b10-8+,11-7+/t12-,13-,15+/m0/s1
InChIKeyAXNPQOVZRSRGEF-MABPIYMQSA-N
MW236.35 g/mol
LogP3.22
Rot. Bonds

About (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol

(1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol (PubChem CID 52945608) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol.

Molecular Properties

Compound Name(1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol
PubChem CID52945608
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol
SMILESC/C1=C\CC(C)(C)/C=C/[C@H](O)[C@@]2(C)O[C@H]2CC1
InChIInChI=1S/C15H24O2/c1-11-5-6-13-15(4,17-13)12(16)8-10-14(2,3)9-7-11/h7-8,10,12-13,16H,5-6,9H2,1-4H3/b10-8+,11-7+/t12-,13-,15+/m0/s1
InChIKeyAXNPQOVZRSRGEF-MABPIYMQSA-N
XLogP3.22
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol?
The IUPAC name of (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol (CID 52945608) is (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol.
What is the SMILES notation for (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol?
The canonical SMILES for (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol is C/C1=C\CC(C)(C)/C=C/[C@H](O)[C@@]2(C)O[C@H]2CC1.
What is the InChIKey of (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol?
The InChIKey is AXNPQOVZRSRGEF-MABPIYMQSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-5-6-13-15(4,17-13)12(16)8-10-14(2,3)9-7-11/h7-8,10,12-13,16H,5-6,9H2,1-4H3/b10-8+,11-7+/t12-,13-,15+/m0/s1.
What are the key properties of (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol?
(1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-ol is sourced from PubChem (CID 52945608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).