(1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene

C20H32O2 — CID 162930313

IUPAC(1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene
SMILESCC(C)[C@H]1C=C[C@@]2(C)C/C=C\[C@]3(C)CC[C@@H](O3)[C@](C)(CC1)O2
InChIInChI=1S/C20H32O2/c1-15(2)16-7-12-19(4)11-6-10-18(3)13-9-17(21-18)20(5,22-19)14-8-16/h6-7,10,12,15-17H,8-9,11,13-14H2,1-5H3/b10-6-,12-7?/t16-,17+,18+,19+,20-/m0/s1
InChIKeyNZXAHQRVZURVSS-HFTYDWDGSA-N
MW304.47 g/mol
LogP5.04
Rot. Bonds1

About (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene

(1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene (PubChem CID 162930313) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene.

Molecular Properties

Compound Name(1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene
PubChem CID162930313
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene
SMILESCC(C)[C@H]1C=C[C@@]2(C)C/C=C\[C@]3(C)CC[C@@H](O3)[C@](C)(CC1)O2
InChIInChI=1S/C20H32O2/c1-15(2)16-7-12-19(4)11-6-10-18(3)13-9-17(21-18)20(5,22-19)14-8-16/h6-7,10,12,15-17H,8-9,11,13-14H2,1-5H3/b10-6-,12-7?/t16-,17+,18+,19+,20-/m0/s1
InChIKeyNZXAHQRVZURVSS-HFTYDWDGSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene?
The IUPAC name of (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene (CID 162930313) is (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene.
What is the SMILES notation for (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene?
The canonical SMILES for (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene is CC(C)[C@H]1C=C[C@@]2(C)C/C=C\[C@]3(C)CC[C@@H](O3)[C@](C)(CC1)O2.
What is the InChIKey of (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene?
The InChIKey is NZXAHQRVZURVSS-HFTYDWDGSA-N. The full InChI is InChI=1S/C20H32O2/c1-15(2)16-7-12-19(4)11-6-10-18(3)13-9-17(21-18)20(5,22-19)14-8-16/h6-7,10,12,15-17H,8-9,11,13-14H2,1-5H3/b10-6-,12-7?/t16-,17+,18+,19+,20-/m0/s1.
What are the key properties of (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene?
(1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene has a molecular weight of 304.47 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6E,9R,12S)-1,5,9-trimethyl-12-propan-2-yl-15,16-dioxatricyclo[7.5.1.12,5]hexadeca-6,10-diene is sourced from PubChem (CID 162930313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).