(1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene

C20H32O — CID 71466876

IUPAC(1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene
SMILESC=C(C)[C@@H]1C/C=C(\C)CC[C@H]2O[C@]2(C)CC/C=C(\C)CC1
InChIInChI=1S/C20H32O/c1-15(2)18-11-8-16(3)7-6-14-20(5)19(21-20)13-10-17(4)9-12-18/h7,9,18-19H,1,6,8,10-14H2,2-5H3/b16-7+,17-9+/t18-,19+,20+/m0/s1
InChIKeyUMSZXWFPQXNYPW-WPJYSJLQSA-N
MW288.48 g/mol
LogP5.97
Rot. Bonds1

About (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene

(1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene (PubChem CID 71466876) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene.

Molecular Properties

Compound Name(1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene
PubChem CID71466876
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene
SMILESC=C(C)[C@@H]1C/C=C(\C)CC[C@H]2O[C@]2(C)CC/C=C(\C)CC1
InChIInChI=1S/C20H32O/c1-15(2)18-11-8-16(3)7-6-14-20(5)19(21-20)13-10-17(4)9-12-18/h7,9,18-19H,1,6,8,10-14H2,2-5H3/b16-7+,17-9+/t18-,19+,20+/m0/s1
InChIKeyUMSZXWFPQXNYPW-WPJYSJLQSA-N
XLogP5.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene?
The IUPAC name of (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene (CID 71466876) is (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene.
What is the SMILES notation for (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene?
The canonical SMILES for (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene is C=C(C)[C@@H]1C/C=C(\C)CC[C@H]2O[C@]2(C)CC/C=C(\C)CC1.
What is the InChIKey of (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene?
The InChIKey is UMSZXWFPQXNYPW-WPJYSJLQSA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)18-11-8-16(3)7-6-14-20(5)19(21-20)13-10-17(4)9-12-18/h7,9,18-19H,1,6,8,10-14H2,2-5H3/b16-7+,17-9+/t18-,19+,20+/m0/s1.
What are the key properties of (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene?
(1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene has a molecular weight of 288.48 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,8S,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene is sourced from PubChem (CID 71466876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).