[(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol

C20H32O2 — CID 11738268

IUPAC[(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol
SMILESC=C(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(CO)O[C@H]2C1
InChIInChI=1S/C20H32O2/c1-15(2)18-11-10-17(4)8-5-7-16(3)9-6-12-20(14-21)19(13-18)22-20/h8-9,18-19,21H,1,5-7,10-14H2,2-4H3/b16-9+,17-8+/t18-,19+,20-/m1/s1
InChIKeyBLIQTOKQSBJUJY-VQMBKKDASA-N
MW304.47 g/mol
LogP4.95
Rot. Bonds2

About [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol

[(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol (PubChem CID 11738268) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol
PubChem CID11738268
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name[(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol
SMILESC=C(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(CO)O[C@H]2C1
InChIInChI=1S/C20H32O2/c1-15(2)18-11-10-17(4)8-5-7-16(3)9-6-12-20(14-21)19(13-18)22-20/h8-9,18-19,21H,1,5-7,10-14H2,2-4H3/b16-9+,17-8+/t18-,19+,20-/m1/s1
InChIKeyBLIQTOKQSBJUJY-VQMBKKDASA-N
XLogP4.95
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.95
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 [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol?
The IUPAC name of [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol (CID 11738268) is [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol.
What is the SMILES notation for [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol?
The canonical SMILES for [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol is C=C(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(CO)O[C@H]2C1.
What is the InChIKey of [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol?
The InChIKey is BLIQTOKQSBJUJY-VQMBKKDASA-N. The full InChI is InChI=1S/C20H32O2/c1-15(2)18-11-10-17(4)8-5-7-16(3)9-6-12-20(14-21)19(13-18)22-20/h8-9,18-19,21H,1,5-7,10-14H2,2-4H3/b16-9+,17-8+/t18-,19+,20-/m1/s1.
What are the key properties of [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol?
[(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol has a molecular weight of 304.47 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4E,8E,12R,14S)-5,9-dimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-1-yl]methanol is sourced from PubChem (CID 11738268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).