4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol

C20H32O2 — CID 53440072

IUPAC4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol
SMILESCC1=CCCC(C)(O)C=CC2(C(C)C)OC2CC(C)=CCC1
InChIInChI=1S/C20H32O2/c1-15(2)20-13-12-19(5,21)11-7-10-16(3)8-6-9-17(4)14-18(20)22-20/h9-10,12-13,15,18,21H,6-8,11,14H2,1-5H3
InChIKeyHDDUIGXNGDDITI-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.94
Rot. Bonds1

About 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol

4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol (PubChem CID 53440072) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol.

Molecular Properties

Compound Name4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol
PubChem CID53440072
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol
SMILESCC1=CCCC(C)(O)C=CC2(C(C)C)OC2CC(C)=CCC1
InChIInChI=1S/C20H32O2/c1-15(2)20-13-12-19(5,21)11-7-10-16(3)8-6-9-17(4)14-18(20)22-20/h9-10,12-13,15,18,21H,6-8,11,14H2,1-5H3
InChIKeyHDDUIGXNGDDITI-UHFFFAOYSA-N
XLogP4.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.94
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'}

Analyze 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol with MolForge

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Related Compounds

(1S,2R,5E,9E,12S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9,13-trien-2-ol
CID 100921067
(1R,3R,4E,7S,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3,7-triol
CID 21728622
(1R,2E,6S,8S,11E,14S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-14-ol
CID 11844490
(4Z,8E,13E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 20839119
(1S,4S,5E,8R,9E,11S,14S)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,9-diene-4,8-diol
CID 10064750
(1S,4R,5E,8R,9E,11S,14S)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,9-diene-4,8-diol
CID 10471391
(1S,3R,4E,7R,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3,7-triol
CID 21763259
(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
CID 10086404
(1R,4E,6R,8R,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
CID 10756928
(1R,3R,4E,6S,8R,9E,13E)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-4,9,13-triene-1,3,8-triol
CID 44450936
(1R,2S,5E,9E,12S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9,13-trien-2-ol
CID 14138034
(1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
CID 15922617

Frequently Asked Questions

What is the IUPAC name of 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol?
The IUPAC name of 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol (CID 53440072) is 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol.
What is the SMILES notation for 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol?
The canonical SMILES for 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol is CC1=CCCC(C)(O)C=CC2(C(C)C)OC2CC(C)=CCC1.
What is the InChIKey of 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol?
The InChIKey is HDDUIGXNGDDITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-15(2)20-13-12-19(5,21)11-7-10-16(3)8-6-9-17(4)14-18(20)22-20/h9-10,12-13,15,18,21H,6-8,11,14H2,1-5H3.
What are the key properties of 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol?
4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol has a molecular weight of 304.47 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol is sourced from PubChem (CID 53440072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).