Sarcophytolide

C22H32O — CID 163108996

IUPAC(3R,5R,8E,13E,15S)-5,9,13,18-tetramethyl-17-methylidene-4-oxatricyclo[13.3.0.03,5]octadeca-1(18),8,13-triene
SMILESC/C/1=C\CC[C@@]2([C@H](O2)CC3=C(C(=C)C[C@H]3/C=C(/CCC1)\C)C)C
InChIInChI=1S/C22H32O/c1-15-8-6-9-16(2)12-19-13-17(3)18(4)20(19)14-21-22(5,23-21)11-7-10-15/h10,12,19,21H,3,6-9,11,13-14H2,1-2,4-5H3/b15-10+,16-12+/t19-,21-,22-/m1/s1
InChIKeyGKVRPEUJOMORMB-ATQWNMQFSA-N
MW312.50 g/mol
LogP4.20
Rot. Bonds

About Sarcophytolide

Sarcophytolide (PubChem CID 163108996) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is (3R,5R,8E,13E,15S)-5,9,13,18-tetramethyl-17-methylidene-4-oxatricyclo[13.3.0.03,5]octadeca-1(18),8,13-triene.

Molecular Properties

Compound NameSarcophytolide
PubChem CID163108996
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name(3R,5R,8E,13E,15S)-5,9,13,18-tetramethyl-17-methylidene-4-oxatricyclo[13.3.0.03,5]octadeca-1(18),8,13-triene
SMILESC/C/1=C\CC[C@@]2([C@H](O2)CC3=C(C(=C)C[C@H]3/C=C(/CCC1)\C)C)C
InChIInChI=1S/C22H32O/c1-15-8-6-9-16(2)12-19-13-17(3)18(4)20(19)14-21-22(5,23-21)11-7-10-15/h10,12,19,21H,3,6-9,11,13-14H2,1-2,4-5H3/b15-10+,16-12+/t19-,21-,22-/m1/s1
InChIKeyGKVRPEUJOMORMB-ATQWNMQFSA-N
XLogP4.20
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity589

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.20
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 Sarcophytolide?
The IUPAC name of Sarcophytolide (CID 163108996) is (3R,5R,8E,13E,15S)-5,9,13,18-tetramethyl-17-methylidene-4-oxatricyclo[13.3.0.03,5]octadeca-1(18),8,13-triene.
What is the SMILES notation for Sarcophytolide?
The canonical SMILES for Sarcophytolide is C/C/1=C\CC[C@@]2([C@H](O2)CC3=C(C(=C)C[C@H]3/C=C(/CCC1)\C)C)C.
What is the InChIKey of Sarcophytolide?
The InChIKey is GKVRPEUJOMORMB-ATQWNMQFSA-N. The full InChI is InChI=1S/C22H32O/c1-15-8-6-9-16(2)12-19-13-17(3)18(4)20(19)14-21-22(5,23-21)11-7-10-15/h10,12,19,21H,3,6-9,11,13-14H2,1-2,4-5H3/b15-10+,16-12+/t19-,21-,22-/m1/s1.
What are the key properties of Sarcophytolide?
Sarcophytolide has a molecular weight of 312.50 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Sarcophytolide is sourced from PubChem (CID 163108996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).