(1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol

C15H24O2 — CID 139051302

IUPAC(1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol
SMILESCC1(C)/C=C\C[C@@]2(C)OC/C(=C\C1)CC[C@@H]2O
InChIInChI=1S/C15H24O2/c1-14(2)8-4-9-15(3)13(16)6-5-12(7-10-14)11-17-15/h4,7-8,13,16H,5-6,9-11H2,1-3H3/b8-4-,12-7-/t13-,15+/m0/s1
InChIKeyAJHJYINTDZGJGY-VGDKCGCVSA-N
MW236.35 g/mol
LogP3.22
Rot. Bonds

About (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol

(1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol (PubChem CID 139051302) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol.

Molecular Properties

Compound Name(1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol
PubChem CID139051302
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol
SMILESCC1(C)/C=C\C[C@@]2(C)OC/C(=C\C1)CC[C@@H]2O
InChIInChI=1S/C15H24O2/c1-14(2)8-4-9-15(3)13(16)6-5-12(7-10-14)11-17-15/h4,7-8,13,16H,5-6,9-11H2,1-3H3/b8-4-,12-7-/t13-,15+/m0/s1
InChIKeyAJHJYINTDZGJGY-VGDKCGCVSA-N
XLogP3.22
TPSA29.46 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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol?
The IUPAC name of (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol (CID 139051302) is (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol.
What is the SMILES notation for (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol?
The canonical SMILES for (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol is CC1(C)/C=C\C[C@@]2(C)OC/C(=C\C1)CC[C@@H]2O.
What is the InChIKey of (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol?
The InChIKey is AJHJYINTDZGJGY-VGDKCGCVSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2)8-4-9-15(3)13(16)6-5-12(7-10-14)11-17-15/h4,7-8,13,16H,5-6,9-11H2,1-3H3/b8-4-,12-7-/t13-,15+/m0/s1.
What are the key properties of (1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol?
(1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-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,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol is sourced from PubChem (CID 139051302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).