(1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane

C20H24 — CID 153362578

IUPAC(1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane
SMILESCC1/C2=C\C=C/C/C=C\c3cccc(c31)C=C2.CCC
InChIInChI=1S/C17H16.C3H8/c1-13-14-7-4-2-3-5-8-15-9-6-10-16(12-11-14)17(13)15;1-3-2/h2,4-13H,3H2,1H3;3H2,1-2H3/b4-2-,8-5-,14-7-;
InChIKeyJBRWKLOVRWMLQZ-RXWIMFAZSA-N
MW264.41 g/mol
LogP6.13
Rot. Bonds

About (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane

(1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane (PubChem CID 153362578) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane.

Molecular Properties

Compound Name(1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane
PubChem CID153362578
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name(1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane
SMILESCC1/C2=C\C=C/C/C=C\c3cccc(c31)C=C2.CCC
InChIInChI=1S/C17H16.C3H8/c1-13-14-7-4-2-3-5-8-15-9-6-10-16(12-11-14)17(13)15;1-3-2/h2,4-13H,3H2,1H3;3H2,1-2H3/b4-2-,8-5-,14-7-;
InChIKeyJBRWKLOVRWMLQZ-RXWIMFAZSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane?
The IUPAC name of (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane (CID 153362578) is (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane.
What is the SMILES notation for (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane?
The canonical SMILES for (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane is CC1/C2=C\C=C/C/C=C\c3cccc(c31)C=C2.CCC.
What is the InChIKey of (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane?
The InChIKey is JBRWKLOVRWMLQZ-RXWIMFAZSA-N. The full InChI is InChI=1S/C17H16.C3H8/c1-13-14-7-4-2-3-5-8-15-9-6-10-16(12-11-14)17(13)15;1-3-2/h2,4-13H,3H2,1H3;3H2,1-2H3/b4-2-,8-5-,14-7-;.
What are the key properties of (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane?
(1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane has a molecular weight of 264.41 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9Z,12Z)-15-methyltricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8(16),9,12-heptaene;propane is sourced from PubChem (CID 153362578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).