(3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene

C20H32 — CID 171037428

IUPAC(3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene
SMILESCC1=C2C/C=C(/C)CCC/C(C)=C\CC(CC1)C2(C)C
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h9-10,18H,6-8,11-14H2,1-5H3/b15-9-,16-10-
InChIKeyPCIXTRZRJQICOW-VULZFCBJSA-N
MW272.48 g/mol
LogP6.60
Rot. Bonds

About (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene

(3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene (PubChem CID 171037428) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene.

Molecular Properties

Compound Name(3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene
PubChem CID171037428
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene
SMILESCC1=C2C/C=C(/C)CCC/C(C)=C\CC(CC1)C2(C)C
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h9-10,18H,6-8,11-14H2,1-5H3/b15-9-,16-10-
InChIKeyPCIXTRZRJQICOW-VULZFCBJSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene?
The IUPAC name of (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene (CID 171037428) is (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene.
What is the SMILES notation for (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene?
The canonical SMILES for (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene is CC1=C2C/C=C(/C)CCC/C(C)=C\CC(CC1)C2(C)C.
What is the InChIKey of (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene?
The InChIKey is PCIXTRZRJQICOW-VULZFCBJSA-N. The full InChI is InChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h9-10,18H,6-8,11-14H2,1-5H3/b15-9-,16-10-.
What are the key properties of (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene?
(3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene has a molecular weight of 272.48 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene is sourced from PubChem (CID 171037428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).