(4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione

C20H26O2 — CID 102192689

IUPAC(4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione
SMILESC=C1CCC2C(C3C(C)C(=O)C4=C(C(=O)[C@H](C)C4)C13)C2(C)C
InChIInChI=1S/C20H26O2/c1-9-6-7-13-17(20(13,4)5)15-11(3)19(22)12-8-10(2)18(21)16(12)14(9)15/h10-11,13-15,17H,1,6-8H2,2-5H3/t10-,11?,13?,14?,15?,17?/m1/s1
InChIKeyVYBBQJWRIBGXEQ-HCTXTAMUSA-N
MW298.43 g/mol
LogP3.97
Rot. Bonds

About (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione

(4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione (PubChem CID 102192689) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione.

Molecular Properties

Compound Name(4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione
PubChem CID102192689
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione
SMILESC=C1CCC2C(C3C(C)C(=O)C4=C(C(=O)[C@H](C)C4)C13)C2(C)C
InChIInChI=1S/C20H26O2/c1-9-6-7-13-17(20(13,4)5)15-11(3)19(22)12-8-10(2)18(21)16(12)14(9)15/h10-11,13-15,17H,1,6-8H2,2-5H3/t10-,11?,13?,14?,15?,17?/m1/s1
InChIKeyVYBBQJWRIBGXEQ-HCTXTAMUSA-N
XLogP3.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
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 (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione?
The IUPAC name of (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione (CID 102192689) is (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione.
What is the SMILES notation for (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione?
The canonical SMILES for (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione is C=C1CCC2C(C3C(C)C(=O)C4=C(C(=O)[C@H](C)C4)C13)C2(C)C.
What is the InChIKey of (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione?
The InChIKey is VYBBQJWRIBGXEQ-HCTXTAMUSA-N. The full InChI is InChI=1S/C20H26O2/c1-9-6-7-13-17(20(13,4)5)15-11(3)19(22)12-8-10(2)18(21)16(12)14(9)15/h10-11,13-15,17H,1,6-8H2,2-5H3/t10-,11?,13?,14?,15?,17?/m1/s1.
What are the key properties of (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione?
(4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione has a molecular weight of 298.43 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione is sourced from PubChem (CID 102192689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).